N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide

C18H26N2O2 — CID 42427444

IUPACN-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H26N2O2/c1-3-13(2)19-18(22)15-10-7-11-16(12-15)20-17(21)14-8-5-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyAKMXIGMOMBQZTG-ZDUSSCGKSA-N
MW302.42 g/mol
LogP3.73
Rot. Bonds5

About N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide

N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide (PubChem CID 42427444) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
PubChem CID42427444
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H26N2O2/c1-3-13(2)19-18(22)15-10-7-11-16(12-15)20-17(21)14-8-5-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyAKMXIGMOMBQZTG-ZDUSSCGKSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 78866259
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N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide
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N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816415
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
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CID 51158620
N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 119588133
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 4036927

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide (CID 42427444) is N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide is CC[C@H](C)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide?
The InChIKey is AKMXIGMOMBQZTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-13(2)19-18(22)15-10-7-11-16(12-15)20-17(21)14-8-5-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide?
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide has a molecular weight of 302.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide is sourced from PubChem (CID 42427444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).