N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide

C28H38N4O4 — CID 10345646

IUPACN,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide
SMILESCC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C28H38N4O4/c1-19(2)17-29-25(33)23(15-21-11-7-5-8-12-21)31-27(35)28(36)32-24(26(34)30-18-20(3)4)16-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/t23-,24-/m0/s1
InChIKeySZQFIJXOKDSCDB-ZEQRLZLVSA-N
MW494.64 g/mol
LogP1.99
Rot. Bonds12

About N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide

N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide (PubChem CID 10345646) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide
PubChem CID10345646
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC NameN,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide
SMILESCC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C28H38N4O4/c1-19(2)17-29-25(33)23(15-21-11-7-5-8-12-21)31-27(35)28(36)32-24(26(34)30-18-20(3)4)16-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/t23-,24-/m0/s1
InChIKeySZQFIJXOKDSCDB-ZEQRLZLVSA-N
XLogP1.99
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 167024634
2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 4019220
(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 22842642
2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 3578188
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2S)-2-[[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]-4-methylpentanoic acid
CID 44572381
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 18299804
(2R)-2-amino-N-[(2S)-1-[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 10841941
(2S)-3-phenyl-2-(prop-2-ynoylamino)-N-prop-2-ynylpropanamide
CID 102416789
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 18299744
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide?
The IUPAC name of N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide (CID 10345646) is N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide.
What is the SMILES notation for N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide?
The canonical SMILES for N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide is CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(C)C.
What is the InChIKey of N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide?
The InChIKey is SZQFIJXOKDSCDB-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-19(2)17-29-25(33)23(15-21-11-7-5-8-12-21)31-27(35)28(36)32-24(26(34)30-18-20(3)4)16-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/t23-,24-/m0/s1.
What are the key properties of N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide?
N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide has a molecular weight of 494.64 g/mol, XLogP of 1.99, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide is sourced from PubChem (CID 10345646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).