1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide

C17H24N2O2 — CID 126839947

IUPAC1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCC(CO)CC1)C1(Nc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c20-12-13-6-8-14(9-7-13)18-16(21)17(10-11-17)19-15-4-2-1-3-5-15/h1-5,13-14,19-20H,6-12H2,(H,18,21)
InChIKeyYAJUFOYMYWOHFA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.30
Rot. Bonds5

About 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide

1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide (PubChem CID 126839947) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
PubChem CID126839947
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCC(CO)CC1)C1(Nc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c20-12-13-6-8-14(9-7-13)18-16(21)17(10-11-17)19-15-4-2-1-3-5-15/h1-5,13-14,19-20H,6-12H2,(H,18,21)
InChIKeyYAJUFOYMYWOHFA-UHFFFAOYSA-N
XLogP2.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
CID 86816799
N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide
CID 155873184
N-cyclopropyl-4-(3-methoxyanilino)piperidine-4-carboxamide
CID 155872355
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081
1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide
CID 113384226
1-anilino-4-methylcyclohexane-1-carboxamide
CID 54889334
N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
CID 119477938
4-anilino-N-benzylpiperidine-4-carboxamide
CID 53444066
N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 155871908
1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108970621
2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089
2-[(1S,3R)-3-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentyl]acetic acid
CID 178192400

Frequently Asked Questions

What is the IUPAC name of 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide (CID 126839947) is 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide is O=C(NC1CCC(CO)CC1)C1(Nc2ccccc2)CC1.
What is the InChIKey of 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is YAJUFOYMYWOHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-12-13-6-8-14(9-7-13)18-16(21)17(10-11-17)19-15-4-2-1-3-5-15/h1-5,13-14,19-20H,6-12H2,(H,18,21).
What are the key properties of 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide?
1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126839947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).