N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide

C20H30N2O2 — CID 30785525

IUPACN-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-3-15(2)18(22-19(23)17-12-8-5-9-13-17)20(24)21-14-16-10-6-4-7-11-16/h5,8-9,12-13,15-16,18H,3-4,6-7,10-11,14H2,1-2H3,(H,21,24)(H,22,23)/t15-,18+/m1/s1
InChIKeySEGUGSMMPIHBQC-QAPCUYQASA-N
MW330.47 g/mol
LogP3.53
Rot. Bonds7

About N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 30785525) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID30785525
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-3-15(2)18(22-19(23)17-12-8-5-9-13-17)20(24)21-14-16-10-6-4-7-11-16/h5,8-9,12-13,15-16,18H,3-4,6-7,10-11,14H2,1-2H3,(H,21,24)(H,22,23)/t15-,18+/m1/s1
InChIKeySEGUGSMMPIHBQC-QAPCUYQASA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98641458
[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 55925687
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
CID 134349733
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119543875
N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide
CID 39948471
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
benzyl 2-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]acetate
CID 7613309
[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55936242
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide (CID 30785525) is N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC1CCCCC1.
What is the InChIKey of N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is SEGUGSMMPIHBQC-QAPCUYQASA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-15(2)18(22-19(23)17-12-8-5-9-13-17)20(24)21-14-16-10-6-4-7-11-16/h5,8-9,12-13,15-16,18H,3-4,6-7,10-11,14H2,1-2H3,(H,21,24)(H,22,23)/t15-,18+/m1/s1.
What are the key properties of N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 330.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 30785525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).