N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide

C19H30N2O2 — CID 100549543

IUPACN-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
SMILESCCCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)N[C@H](C)CC
InChIInChI=1S/C19H30N2O2/c1-6-8-18(22)21(13-17-11-9-14(3)10-12-17)16(5)19(23)20-15(4)7-2/h9-12,15-16H,6-8,13H2,1-5H3,(H,20,23)/t15-,16+/m1/s1
InChIKeyIZVMMCDXABGCMC-CVEARBPZSA-N
MW318.46 g/mol
LogP3.43
Rot. Bonds8

About N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide

N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 100549543) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
PubChem CID100549543
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
SMILESCCCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)N[C@H](C)CC
InChIInChI=1S/C19H30N2O2/c1-6-8-18(22)21(13-17-11-9-14(3)10-12-17)16(5)19(23)20-15(4)7-2/h9-12,15-16H,6-8,13H2,1-5H3,(H,20,23)/t15-,16+/m1/s1
InChIKeyIZVMMCDXABGCMC-CVEARBPZSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide with MolForge

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Related Compounds

N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 132699458
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-chlorophenyl)methyl]butanamide
CID 132700122
(2R)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100572122
(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100617327
(2R)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100521800
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100546469
N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(3,4-dichlorophenyl)methyl]butanamide
CID 100590790
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549077
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549094
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-phenoxybutanamide
CID 132707069
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132650775
(2S)-2-[benzyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100516374

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide (CID 100549543) is N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide is CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)N[C@H](C)CC.
What is the InChIKey of N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is IZVMMCDXABGCMC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-8-18(22)21(13-17-11-9-14(3)10-12-17)16(5)19(23)20-15(4)7-2/h9-12,15-16H,6-8,13H2,1-5H3,(H,20,23)/t15-,16+/m1/s1.
What are the key properties of N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide?
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 318.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 100549543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).