N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide

C16H22N2O2 — CID 94194364

IUPACN-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-12(15(19)18-14-10-6-3-7-11-14)17-16(20)13-8-4-2-5-9-13/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyNCADNAVRXYBEHW-GFCCVEGCSA-N
MW274.36 g/mol
LogP2.71
Rot. Bonds4

About N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 94194364) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID94194364
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-12(15(19)18-14-10-6-3-7-11-14)17-16(20)13-8-4-2-5-9-13/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyNCADNAVRXYBEHW-GFCCVEGCSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94117942
9-amino-N-(1-anilino-1-oxopropan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989646
2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
CID 81385584
2-(1-cyclohexylethylamino)-N-phenylpropanamide
CID 62407888
benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171356618
N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95145619
N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 139020749
(3S)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40961230
(3S)-N-[(2R)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 97263010
N-phenyl-2-(piperidin-1-ylamino)propanamide
CID 83014289
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
N-[1-oxo-1-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propan-2-yl]cyclopentanecarboxamide
CID 51119825

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 94194364) is N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide is C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccccc1.
What is the InChIKey of N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is NCADNAVRXYBEHW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(15(19)18-14-10-6-3-7-11-14)17-16(20)13-8-4-2-5-9-13/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 94194364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).