N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide

C17H26N2O2 — CID 63108494

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C17H26N2O2/c1-13(2)18-15-9-5-4-8-14(15)16(21)19-17(12-20)10-6-3-7-11-17/h4-5,8-9,13,18,20H,3,6-7,10-12H2,1-2H3,(H,19,21)
InChIKeyJBMHMAYUCNUKIK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide

N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide (PubChem CID 63108494) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
PubChem CID63108494
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C17H26N2O2/c1-13(2)18-15-9-5-4-8-14(15)16(21)19-17(12-20)10-6-3-7-11-17/h4-5,8-9,13,18,20H,3,6-7,10-12H2,1-2H3,(H,19,21)
InChIKeyJBMHMAYUCNUKIK-UHFFFAOYSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
CID 113344829
N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
CID 62520393
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
CID 81389065
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
CID 115878331
N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558513
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
CID 62520197
N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 62518947
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide (CID 63108494) is N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide?
The InChIKey is JBMHMAYUCNUKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)18-15-9-5-4-8-14(15)16(21)19-17(12-20)10-6-3-7-11-17/h4-5,8-9,13,18,20H,3,6-7,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63108494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).