N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide

C30H44N4O5 — CID 58590656

About N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide

N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 58590656) has the molecular formula C30H44N4O5 and a molecular weight of 540.71 g/mol. Its IUPAC name is N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide
• PubChem CID: 58590656
• Molecular Formula: C30H44N4O5
• Molecular Weight: 540.71 g/mol
• Exact Mass: 540.33
• IUPAC Name: N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide
• SMILES: COC(C)(C)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCC(O)CNCC(C)C
• InChI: InChI=1S/C30H44N4O5/c1-20(2)17-31-18-24(35)19-32-27(36)25(16-21-12-13-22-9-6-7-10-23(22)15-21)33-28(37)26-11-8-14-34(26)29(38)30(3,4)39-5/h6-7,9-10,12-13,15,20,24-26,31,35H,8,11,14,16-19H2,1-5H3,(H,32,36)(H,33,37)/t24?,25-,26?/m1/s1
• InChIKey: IUROHRJNLITKRU-GXUWAKPLSA-N
• XLogP: 2.01
• TPSA: 120.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.71
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide?

The IUPAC name of N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 58590656) is N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide is COC(C)(C)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCC(O)CNCC(C)C.

What is the InChIKey of N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide?

The InChIKey is IUROHRJNLITKRU-GXUWAKPLSA-N. The full InChI is InChI=1S/C30H44N4O5/c1-20(2)17-31-18-24(35)19-32-27(36)25(16-21-12-13-22-9-6-7-10-23(22)15-21)33-28(37)26-11-8-14-34(26)29(38)30(3,4)39-5/h6-7,9-10,12-13,15,20,24-26,31,35H,8,11,14,16-19H2,1-5H3,(H,32,36)(H,33,37)/t24?,25-,26?/m1/s1.

What are the key properties of N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide?

N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 540.71 g/mol, XLogP of 2.01, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[[2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 58590656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).