4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide

C16H25N3O2 — CID 119589885

IUPAC4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(CN)C2CCCCC2)n(C)c1
InChIInChI=1S/C16H25N3O2/c1-11(20)13-8-15(19(2)10-13)16(21)18-14(9-17)12-6-4-3-5-7-12/h8,10,12,14H,3-7,9,17H2,1-2H3,(H,18,21)
InChIKeyOJUATYCLZGSMTH-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.87
Rot. Bonds5

About 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide

4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 119589885) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide
PubChem CID119589885
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(CN)C2CCCCC2)n(C)c1
InChIInChI=1S/C16H25N3O2/c1-11(20)13-8-15(19(2)10-13)16(21)18-14(9-17)12-6-4-3-5-7-12/h8,10,12,14H,3-7,9,17H2,1-2H3,(H,18,21)
InChIKeyOJUATYCLZGSMTH-UHFFFAOYSA-N
XLogP1.87
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119614922
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
CID 81425114
N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115309213
4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide
CID 119665953
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide
CID 122080658
N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119589185
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
(2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153771
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide (CID 119589885) is 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NC(CN)C2CCCCC2)n(C)c1.
What is the InChIKey of 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is OJUATYCLZGSMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(20)13-8-15(19(2)10-13)16(21)18-14(9-17)12-6-4-3-5-7-12/h8,10,12,14H,3-7,9,17H2,1-2H3,(H,18,21).
What are the key properties of 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide?
4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 119589885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).