N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide

C21H23NO2 — CID 56931733

IUPACN-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide
SMILESC[C@@H]1CCCC(=O)[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c1-15-9-8-14-18(23)19(15)20(16-10-4-2-5-11-16)22-21(24)17-12-6-3-7-13-17/h2-7,10-13,15,19-20H,8-9,14H2,1H3,(H,22,24)/t15-,19+,20+/m1/s1
InChIKeyNKXVMRUCXKFBOY-XPGWFJOJSA-N
MW321.42 g/mol
LogP4.16
Rot. Bonds4

About N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide

N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide (PubChem CID 56931733) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide.

Molecular Properties

Compound NameN-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide
PubChem CID56931733
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide
SMILESC[C@@H]1CCCC(=O)[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c1-15-9-8-14-18(23)19(15)20(16-10-4-2-5-11-16)22-21(24)17-12-6-3-7-13-17/h2-7,10-13,15,19-20H,8-9,14H2,1H3,(H,22,24)/t15-,19+,20+/m1/s1
InChIKeyNKXVMRUCXKFBOY-XPGWFJOJSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 978301
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methyl 3-[[(2-methylcyclopropyl)-phenylmethyl]carbamoyl]benzoate
CID 86956101
N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 56827734
N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 124732495
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N'-[cyclopentyl(phenyl)methyl]benzohydrazide
CID 54339483
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956050
4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956089
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CID 75460706

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide?
The IUPAC name of N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide (CID 56931733) is N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide.
What is the SMILES notation for N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide?
The canonical SMILES for N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide is C[C@@H]1CCCC(=O)[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide?
The InChIKey is NKXVMRUCXKFBOY-XPGWFJOJSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15-9-8-14-18(23)19(15)20(16-10-4-2-5-11-16)22-21(24)17-12-6-3-7-13-17/h2-7,10-13,15,19-20H,8-9,14H2,1H3,(H,22,24)/t15-,19+,20+/m1/s1.
What are the key properties of N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide?
N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide is sourced from PubChem (CID 56931733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).