N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide

C16H21N3O — CID 46343165

IUPACN-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCn2cccc2)cc1N(C)C
InChIInChI=1S/C16H21N3O/c1-13-6-7-14(12-15(13)18(2)3)17-16(20)8-11-19-9-4-5-10-19/h4-7,9-10,12H,8,11H2,1-3H3,(H,17,20)
InChIKeyUMWNLOIJBWIROO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.89
Rot. Bonds5

About N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide

N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide (PubChem CID 46343165) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide
PubChem CID46343165
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCn2cccc2)cc1N(C)C
InChIInChI=1S/C16H21N3O/c1-13-6-7-14(12-15(13)18(2)3)17-16(20)8-11-19-9-4-5-10-19/h4-7,9-10,12H,8,11H2,1-3H3,(H,17,20)
InChIKeyUMWNLOIJBWIROO-UHFFFAOYSA-N
XLogP2.89
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
CID 110688727
N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
CID 110688754
3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 46261847
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid
CID 115378578
3-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]propanoic acid
CID 115378615
2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377322
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254662
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 113297775

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide (CID 46343165) is N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide is Cc1ccc(NC(=O)CCn2cccc2)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is UMWNLOIJBWIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-6-7-14(12-15(13)18(2)3)17-16(20)8-11-19-9-4-5-10-19/h4-7,9-10,12H,8,11H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide?
N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46343165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).