1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide

C16H26N2O2 — CID 110011714

IUPAC1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide
SMILESCC(O)CN(C(=O)c1cccn1C1CCCC1)C(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)18(11-13(3)19)16(20)15-9-6-10-17(15)14-7-4-5-8-14/h6,9-10,12-14,19H,4-5,7-8,11H2,1-3H3
InChIKeyKXPOMAFMXBGHKA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.83
Rot. Bonds5

About 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide

1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide (PubChem CID 110011714) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide
PubChem CID110011714
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide
SMILESCC(O)CN(C(=O)c1cccn1C1CCCC1)C(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)18(11-13(3)19)16(20)15-9-6-10-17(15)14-7-4-5-8-14/h6,9-10,12-14,19H,4-5,7-8,11H2,1-3H3
InChIKeyKXPOMAFMXBGHKA-UHFFFAOYSA-N
XLogP2.83
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610482
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070
N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 63965050

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide (CID 110011714) is 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide is CC(O)CN(C(=O)c1cccn1C1CCCC1)C(C)C.
What is the InChIKey of 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is KXPOMAFMXBGHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18(11-13(3)19)16(20)15-9-6-10-17(15)14-7-4-5-8-14/h6,9-10,12-14,19H,4-5,7-8,11H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide?
1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 110011714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).