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

C20H30N2O2 — CID 7613190

IUPACN-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-3-15(2)18(22-19(23)16-11-7-6-8-12-16)20(24)21-17-13-9-4-5-10-14-17/h6-8,11-12,15,17-18H,3-5,9-10,13-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,18-/m0/s1
InChIKeyBBVLYQCPTNQNCX-YJBOKZPZSA-N
MW330.47 g/mol
LogP3.67
Rot. Bonds6

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

N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 7613190) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID7613190
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-3-15(2)18(22-19(23)16-11-7-6-8-12-16)20(24)21-17-13-9-4-5-10-14-17/h6-8,11-12,15,17-18H,3-5,9-10,13-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,18-/m0/s1
InChIKeyBBVLYQCPTNQNCX-YJBOKZPZSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 30785525
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98641458
benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 51159515
N-[(2R)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 26918649
4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 119229311
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119489297
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 41011047
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide (CID 7613190) is N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCCCC1.
What is the InChIKey of N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is BBVLYQCPTNQNCX-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-15(2)18(22-19(23)16-11-7-6-8-12-16)20(24)21-17-13-9-4-5-10-14-17/h6-8,11-12,15,17-18H,3-5,9-10,13-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,18-/m0/s1.
What are the key properties of N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 330.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 7613190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).