4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide

C20H32N2O2 — CID 55944241

IUPAC4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)NC(C)CCC(C)C)C(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-13(2)7-10-16(6)21-20(24)18(14(3)4)22-19(23)17-11-8-15(5)9-12-17/h8-9,11-14,16,18H,7,10H2,1-6H3,(H,21,24)(H,22,23)/t16?,18-/m0/s1
InChIKeyZYFRCECHWXUGBR-DAFXYXGESA-N
MW332.49 g/mol
LogP3.69
Rot. Bonds8

About 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide

4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide (PubChem CID 55944241) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide
PubChem CID55944241
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)NC(C)CCC(C)C)C(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-13(2)7-10-16(6)21-20(24)18(14(3)4)22-19(23)17-11-8-15(5)9-12-17/h8-9,11-14,16,18H,7,10H2,1-6H3,(H,21,24)(H,22,23)/t16?,18-/m0/s1
InChIKeyZYFRCECHWXUGBR-DAFXYXGESA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide
CID 30481179
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
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N-[(2S)-1-[2-(4-ethylbenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
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N-[1-[1-(4-cyanophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
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4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78856899
4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
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4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
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N-(4-bromobutan-2-yl)-4-methylbenzamide
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(3S)-3-[[(2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-3-(4-methylphenyl)propanoic acid
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N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 39167644
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide (CID 55944241) is 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide is Cc1ccc(C(=O)N[C@H](C(=O)NC(C)CCC(C)C)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide?
The InChIKey is ZYFRCECHWXUGBR-DAFXYXGESA-N. The full InChI is InChI=1S/C20H32N2O2/c1-13(2)7-10-16(6)21-20(24)18(14(3)4)22-19(23)17-11-8-15(5)9-12-17/h8-9,11-14,16,18H,7,10H2,1-6H3,(H,21,24)(H,22,23)/t16?,18-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide?
4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide has a molecular weight of 332.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55944241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).