(Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane

C30H46N4O3 — CID 145208702

About (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane

(Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane (PubChem CID 145208702) has the molecular formula C30H46N4O3 and a molecular weight of 510.72 g/mol. Its IUPAC name is (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane.

Molecular Properties

• Compound Name: (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane
• PubChem CID: 145208702
• Molecular Formula: C30H46N4O3
• Molecular Weight: 510.72 g/mol
• Exact Mass: 510.36
• IUPAC Name: (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane
• SMILES: CCC.CCN/C=C(\N)CCC(c1ccc(C)c(CN2CCOc3cccnc3C2)c1)C(C)(C)C(=O)O
• InChI: InChI=1S/C27H38N4O3.C3H8/c1-5-29-16-22(28)10-11-23(27(3,4)26(32)33)20-9-8-19(2)21(15-20)17-31-13-14-34-25-7-6-12-30-24(25)18-31;1-3-2/h6-9,12,15-16,23,29H,5,10-11,13-14,17-18,28H2,1-4H3,(H,32,33);3H2,1-2H3/b22-16-
• InChIKey: LPGAINFLPZDFMC-IVVDCSPYSA-N
• XLogP: 5.59
• TPSA: 100.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.72
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane?

The IUPAC name of (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane (CID 145208702) is (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane.

What is the SMILES notation for (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane?

The canonical SMILES for (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane is CCC.CCN/C=C(\N)CCC(c1ccc(C)c(CN2CCOc3cccnc3C2)c1)C(C)(C)C(=O)O.

What is the InChIKey of (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane?

The InChIKey is LPGAINFLPZDFMC-IVVDCSPYSA-N. The full InChI is InChI=1S/C27H38N4O3.C3H8/c1-5-29-16-22(28)10-11-23(27(3,4)26(32)33)20-9-8-19(2)21(15-20)17-31-13-14-34-25-7-6-12-30-24(25)18-31;1-3-2/h6-9,12,15-16,23,29H,5,10-11,13-14,17-18,28H2,1-4H3,(H,32,33);3H2,1-2H3/b22-16-;.

What are the key properties of (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane?

(Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane has a molecular weight of 510.72 g/mol, XLogP of 5.59, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-6-amino-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-7-(ethylamino)-2,2-dimethylhept-6-enoic acid;propane is sourced from PubChem (CID 145208702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).