N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide

C18H28N2O — CID 81389065

IUPACN-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-13(2)19-17-12-8-7-11-16(17)18(21)20-14(3)15-9-5-4-6-10-15/h7-8,11-15,19H,4-6,9-10H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyKANRMMORAKHFHW-CQSZACIVSA-N
MW288.44 g/mol
LogP4.21
Rot. Bonds5

About N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide

N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide (PubChem CID 81389065) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
PubChem CID81389065
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-13(2)19-17-12-8-7-11-16(17)18(21)20-14(3)15-9-5-4-6-10-15/h7-8,11-15,19H,4-6,9-10H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyKANRMMORAKHFHW-CQSZACIVSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
CID 81386074
N-(1-cyclohexylethyl)-1H-indole-3-carboxamide
CID 62405126
N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
CID 82828967
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide
CID 107223849
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
CID 80711780
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
N-(2-methylcyclohexyl)-2-(propan-2-ylamino)benzamide
CID 63107606
N-(1-cyclohexylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62405131
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
2-hydroxy-N-(1-piperidin-4-ylethyl)benzamide
CID 43523239

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide (CID 81389065) is N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)N[C@H](C)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide?
The InChIKey is KANRMMORAKHFHW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)19-17-12-8-7-11-16(17)18(21)20-14(3)15-9-5-4-6-10-15/h7-8,11-15,19H,4-6,9-10H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide?
N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 81389065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).