N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C25H29N3O4 — CID 88568382

IUPACN-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NC1(C=O)CCCC1
InChIInChI=1S/C25H29N3O4/c1-18(22(30)28-25(17-29)14-8-9-15-25)26-24(32)21(16-19-10-4-2-5-11-19)27-23(31)20-12-6-3-7-13-20/h2-7,10-13,17-18,21H,8-9,14-16H2,1H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-/m0/s1
InChIKeyZWGFNJNZLNICFY-RXVVDRJESA-N
MW435.52 g/mol
LogP2.16
Rot. Bonds9

About N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 88568382) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID88568382
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NC1(C=O)CCCC1
InChIInChI=1S/C25H29N3O4/c1-18(22(30)28-25(17-29)14-8-9-15-25)26-24(32)21(16-19-10-4-2-5-11-19)27-23(31)20-12-6-3-7-13-20/h2-7,10-13,17-18,21H,8-9,14-16H2,1H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-/m0/s1
InChIKeyZWGFNJNZLNICFY-RXVVDRJESA-N
XLogP2.16
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(2S)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 88568383
N-[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 56597575
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 71135839
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 10507954
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 2282526
2-[2-[(2-benzamido-3-phenylpropanoyl)amino]propanoylamino]hexanoic acid
CID 77473248
N-[(2R)-3-(4-fluorophenyl)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 56597883
(2S)-2-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 102602635

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 88568382) is N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NC1(C=O)CCCC1.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is ZWGFNJNZLNICFY-RXVVDRJESA-N. The full InChI is InChI=1S/C25H29N3O4/c1-18(22(30)28-25(17-29)14-8-9-15-25)26-24(32)21(16-19-10-4-2-5-11-19)27-23(31)20-12-6-3-7-13-20/h2-7,10-13,17-18,21H,8-9,14-16H2,1H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 435.52 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-[(1-formylcyclopentyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 88568382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).