N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide

C32H45N5O6 — CID 138480822

About N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide

N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide (PubChem CID 138480822) has the molecular formula C32H45N5O6 and a molecular weight of 595.74 g/mol. Its IUPAC name is N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide.

Molecular Properties

• Compound Name: N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide
• PubChem CID: 138480822
• Molecular Formula: C32H45N5O6
• Molecular Weight: 595.74 g/mol
• Exact Mass: 595.34
• IUPAC Name: N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide
• SMILES: CCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)COCNC(Cc1ccccc1)C(=O)NC(C)(C)C(N)=O
• InChI: InChI=1S/C32H45N5O6/c1-5-6-17-28(39)36-26(19-24-15-11-8-12-16-24)29(40)35-22(2)27(38)20-43-21-34-25(18-23-13-9-7-10-14-23)30(41)37-32(3,4)31(33)42/h7-16,22,25-26,34H,5-6,17-21H2,1-4H3,(H2,33,42)(H,35,40)(H,36,39)(H,37,41)
• InChIKey: ITFRVWCQEODIGQ-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 168.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.74
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide?

The IUPAC name of N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide (CID 138480822) is N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide.

What is the SMILES notation for N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide?

The canonical SMILES for N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide is CCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)COCNC(Cc1ccccc1)C(=O)NC(C)(C)C(N)=O.

What is the InChIKey of N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide?

The InChIKey is ITFRVWCQEODIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O6/c1-5-6-17-28(39)36-26(19-24-15-11-8-12-16-24)29(40)35-22(2)27(38)20-43-21-34-25(18-23-13-9-7-10-14-23)30(41)37-32(3,4)31(33)42/h7-16,22,25-26,34H,5-6,17-21H2,1-4H3,(H2,33,42)(H,35,40)(H,36,39)(H,37,41).

What are the key properties of N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide?

N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide has a molecular weight of 595.74 g/mol, XLogP of 1.53, 19 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-[[[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]methoxy]-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide is sourced from PubChem (CID 138480822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).