potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine

C93H117KN10O11 — CID 157479486

About potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine

potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine (PubChem CID 157479486) has the molecular formula C93H117KN10O11 and a molecular weight of 1590.12 g/mol. Its IUPAC name is potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine.

Molecular Properties

• Compound Name: potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine
• PubChem CID: 157479486
• Molecular Formula: C93H117KN10O11
• Molecular Weight: 1590.12 g/mol
• Exact Mass: 1588.85
• IUPAC Name: potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine
• SMILES: CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2N=C(CC(=O)OC(C)(C)C)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)O)cc2N=C(CC(=O)OC(C)(C)C)C1.N[C@@H]1C[C@H]1c1ccccc1.[H-].[K+]
• InChI: InChI=1S/C33H41N3O4.C27H32N4O2.C24H32N2O5.C9H11N.K.H/c1-6-15-36(16-7-2)32(39)25-17-23-13-14-24(31(38)35-29-21-27(29)22-11-9-8-10-12-22)19-28(23)34-26(18-25)20-30(37)40-33(3,4)5;1-3-12-31(13-4-2)27(33)21-14-19-10-11-20(15-23(19)29-25(28)16-21)26(32)30-24-17-22(24)18-8-6-5-7-9-18;1-6-10-26(11-7-2)22(28)18-12-16-8-9-17(23(29)30)14-20(16)25-19(13-18)15-21(27)31-24(3,4)5;10-9-6-8(9)7-4-2-1-3-5-7;;/h8-14,17,19,27,29H,6-7,15-16,18,20-21H2,1-5H3,(H,35,38);5-11,14-15,22,24H,3-4,12-13,16-17H2,1-2H3,(H2,28,29)(H,30,32);8-9,12,14H,6-7,10-11,13,15H2,1-5H3,(H,29,30);1-5,8-9H,6,10H2;;/q;;;;+1;-1/t27-,29+;22-,24+;;8-,9+;;/m00.0../s1
• InChIKey: WQKWKNJOZMFEFM-QALIRXNCSA-N
• XLogP: 13.85
• TPSA: 298.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.12
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine?

The IUPAC name of potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine (CID 157479486) is potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine.

What is the SMILES notation for potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine?

The canonical SMILES for potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine is CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2N=C(CC(=O)OC(C)(C)C)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)O)cc2N=C(CC(=O)OC(C)(C)C)C1.N[C@@H]1C[C@H]1c1ccccc1.[H-].[K+].

What is the InChIKey of potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine?

The InChIKey is WQKWKNJOZMFEFM-QALIRXNCSA-N. The full InChI is InChI=1S/C33H41N3O4.C27H32N4O2.C24H32N2O5.C9H11N.K.H/c1-6-15-36(16-7-2)32(39)25-17-23-13-14-24(31(38)35-29-21-27(29)22-11-9-8-10-12-22)19-28(23)34-26(18-25)20-30(37)40-33(3,4)5;1-3-12-31(13-4-2)27(33)21-14-19-10-11-20(15-23(19)29-25(28)16-21)26(32)30-24-17-22(24)18-8-6-5-7-9-18;1-6-10-26(11-7-2)22(28)18-12-16-8-9-17(23(29)30)14-20(16)25-19(13-18)15-21(27)31-24(3,4)5;10-9-6-8(9)7-4-2-1-3-5-7;;/h8-14,17,19,27,29H,6-7,15-16,18,20-21H2,1-5H3,(H,35,38);5-11,14-15,22,24H,3-4,12-13,16-17H2,1-2H3,(H2,28,29)(H,30,32);8-9,12,14H,6-7,10-11,13,15H2,1-5H3,(H,29,30);1-5,8-9H,6,10H2;;/q;;;;+1;-1/t27-,29+;22-,24+;;8-,9+;;/m00.0../s1.

What are the key properties of potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine?

potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine has a molecular weight of 1590.12 g/mol, XLogP of 13.85, 27 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-amino-8-N-[(1R,2S)-2-phenylcyclopropyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;tert-butyl 2-[4-(dipropylcarbamoyl)-8-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-3H-1-benzazepin-2-yl]acetate;4-(dipropylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3H-1-benzazepine-8-carboxylic acid;hydride;trans-(1R,2S)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 157479486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).