4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide

C16H27N3O — CID 61104999

IUPAC4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)19-10-13(17)9-15(19)16(20)18(4)14-8-6-5-7-12(14)3/h9-12,14H,5-8,17H2,1-4H3
InChIKeyQHRHARYVOMROGM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.30
Rot. Bonds3

About 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61104999) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61104999
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)19-10-13(17)9-15(19)16(20)18(4)14-8-6-5-7-12(14)3/h9-12,14H,5-8,17H2,1-4H3
InChIKeyQHRHARYVOMROGM-UHFFFAOYSA-N
XLogP3.30
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 102631148
4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43643422
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615
4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 61107798
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690
4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115661025
N,1-dimethyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 134004086
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 61107299
4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643482

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 61104999) is 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide is CC1CCCCC1N(C)C(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is QHRHARYVOMROGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)19-10-13(17)9-15(19)16(20)18(4)14-8-6-5-7-12(14)3/h9-12,14H,5-8,17H2,1-4H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61104999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).