4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide

C15H22N2O3 — CID 102866362

IUPAC4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)N(CCCO)C2CCC2)n(C)c1
InChIInChI=1S/C15H22N2O3/c1-11(19)12-9-14(16(2)10-12)15(20)17(7-4-8-18)13-5-3-6-13/h9-10,13,18H,3-8H2,1-2H3
InChIKeyWYUPSOBMQFLPFX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.60
Rot. Bonds6

About 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide

4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide (PubChem CID 102866362) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
PubChem CID102866362
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)N(CCCO)C2CCC2)n(C)c1
InChIInChI=1S/C15H22N2O3/c1-11(19)12-9-14(16(2)10-12)15(20)17(7-4-8-18)13-5-3-6-13/h9-10,13,18H,3-8H2,1-2H3
InChIKeyWYUPSOBMQFLPFX-UHFFFAOYSA-N
XLogP1.60
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 102858837
4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
CID 119823974
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655375
N-cyclobutyl-5-cyclopropyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 102867000
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102866785
N-(2-bromoethyl)-N-cyclobutyl-1-methyl-4-nitropyrrole-2-carboxamide
CID 102872949
[2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate
CID 27188579
N-cyclobutyl-N-(3-hydroxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 102870330
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide (CID 102866362) is 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)N(CCCO)C2CCC2)n(C)c1.
What is the InChIKey of 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is WYUPSOBMQFLPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(19)12-9-14(16(2)10-12)15(20)17(7-4-8-18)13-5-3-6-13/h9-10,13,18H,3-8H2,1-2H3.
What are the key properties of 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide?
4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 102866362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).