N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide

C24H32N2O2 — CID 100741860

IUPACN-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C24H32N2O2/c1-4-11-23(27)26(18-21-14-9-6-10-15-21)22(24(28)25-17-19(2)3)16-20-12-7-5-8-13-20/h5-10,12-15,19,22H,4,11,16-18H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeyQPYXOVSXXNBEMP-QFIPXVFZSA-N
MW380.53 g/mol
LogP4.20
Rot. Bonds10

About N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide

N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide (PubChem CID 100741860) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
PubChem CID100741860
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C24H32N2O2/c1-4-11-23(27)26(18-21-14-9-6-10-15-21)22(24(28)25-17-19(2)3)16-20-12-7-5-8-13-20/h5-10,12-15,19,22H,4,11,16-18H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeyQPYXOVSXXNBEMP-QFIPXVFZSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 133172881
(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741850
N-[(3-chlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 133171867
2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212215
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741353
N-[(4-bromophenyl)methyl]-N-[1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 133257933
(2R)-2-[benzyl-[3-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100737183
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172756
2-[(4-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133233459
N-benzyl-4-(1,3-dioxoisoindol-2-yl)-N-[(2R)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 100740864
2-[benzyl(butanoyl)amino]-N-butylbutanamide
CID 132699427
N-[1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 133147617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
The IUPAC name of N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide (CID 100741860) is N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide.
What is the SMILES notation for N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
The canonical SMILES for N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide is CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C.
What is the InChIKey of N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
The InChIKey is QPYXOVSXXNBEMP-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-11-23(27)26(18-21-14-9-6-10-15-21)22(24(28)25-17-19(2)3)16-20-12-7-5-8-13-20/h5-10,12-15,19,22H,4,11,16-18H2,1-3H3,(H,25,28)/t22-/m0/s1.
What are the key properties of N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide has a molecular weight of 380.53 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide is sourced from PubChem (CID 100741860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).