4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide

C16H27N3O — CID 62403049

IUPAC4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-3-9-19-11-14(17)10-15(19)16(20)18-12(2)13-7-5-4-6-8-13/h10-13H,3-9,17H2,1-2H3,(H,18,20)
InChIKeyQCIMKXXBMVQMCJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.18
Rot. Bonds5

About 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide

4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide (PubChem CID 62403049) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
PubChem CID62403049
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-3-9-19-11-14(17)10-15(19)16(20)18-12(2)13-7-5-4-6-8-13/h10-13H,3-9,17H2,1-2H3,(H,18,20)
InChIKeyQCIMKXXBMVQMCJ-UHFFFAOYSA-N
XLogP3.18
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-cyclopropylethyl)-1-ethylpyrrole-2-carboxamide
CID 43643685
5-(1-cyclopropylethylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611217
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 63294148
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 65049794
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106152436
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide
CID 61476569
4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61103337
4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide
CID 114542693
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81042446
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide (CID 62403049) is 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NC(C)C1CCCCC1.
What is the InChIKey of 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is QCIMKXXBMVQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-19-11-14(17)10-15(19)16(20)18-12(2)13-7-5-4-6-8-13/h10-13H,3-9,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 62403049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).