1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide

C16H24N2O2 — CID 114609636

IUPAC1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cccn1C1CCC1
InChIInChI=1S/C16H24N2O2/c19-15(17-12-16(20)9-2-1-3-10-16)14-8-5-11-18(14)13-6-4-7-13/h5,8,11,13,20H,1-4,6-7,9-10,12H2,(H,17,19)
InChIKeyNURKOHBKXJWGRJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds4

About 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide

1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide (PubChem CID 114609636) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
PubChem CID114609636
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cccn1C1CCC1
InChIInChI=1S/C16H24N2O2/c19-15(17-12-16(20)9-2-1-3-10-16)14-8-5-11-18(14)13-6-4-7-13/h5,8,11,13,20H,1-4,6-7,9-10,12H2,(H,17,19)
InChIKeyNURKOHBKXJWGRJ-UHFFFAOYSA-N
XLogP2.64
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 64866563
1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide
CID 122561755
N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610311
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
1-cyclopentyl-N-[(2-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 110007316
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 114609401
4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide
CID 65114132
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide (CID 114609636) is 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide is O=C(NCC1(O)CCCCC1)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The InChIKey is NURKOHBKXJWGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(17-12-16(20)9-2-1-3-10-16)14-8-5-11-18(14)13-6-4-7-13/h5,8,11,13,20H,1-4,6-7,9-10,12H2,(H,17,19).
What are the key properties of 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114609636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).