N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide

C16H24N2O2 — CID 102866070

IUPACN,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CCC1)N(CCCO)C1CCC1
InChIInChI=1S/C16H24N2O2/c19-12-4-11-18(14-7-2-8-14)16(20)15-9-3-10-17(15)13-5-1-6-13/h3,9-10,13-14,19H,1-2,4-8,11-12H2
InChIKeyANGKQMJGNBSSDM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.59
Rot. Bonds6

About N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide

N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide (PubChem CID 102866070) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
PubChem CID102866070
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CCC1)N(CCCO)C1CCC1
InChIInChI=1S/C16H24N2O2/c19-12-4-11-18(14-7-2-8-14)16(20)15-9-3-10-17(15)13-5-1-6-13/h3,9-10,13-14,19H,1-2,4-8,11-12H2
InChIKeyANGKQMJGNBSSDM-UHFFFAOYSA-N
XLogP2.59
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 126793235
1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 107483136
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866003
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716452
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610482
N-cyclopropyl-N-(2-methoxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715573
1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 110011714
2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
CID 114608980
1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide
CID 97341239
1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide
CID 114610854

Frequently Asked Questions

What is the IUPAC name of N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide?
The IUPAC name of N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide (CID 102866070) is N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide.
What is the SMILES notation for N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide?
The canonical SMILES for N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide is O=C(c1cccn1C1CCC1)N(CCCO)C1CCC1.
What is the InChIKey of N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide?
The InChIKey is ANGKQMJGNBSSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-12-4-11-18(14-7-2-8-14)16(20)15-9-3-10-17(15)13-5-1-6-13/h3,9-10,13-14,19H,1-2,4-8,11-12H2.
What are the key properties of N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide?
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 102866070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).