2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide

C15H19N3O — CID 66408507

IUPAC2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2cc[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-11(2)15(19)18-14-5-3-13(4-6-14)17-10-12-7-8-16-9-12/h3-9,11,16-17H,10H2,1-2H3,(H,18,19)
InChIKeyWQZKLGPUYNFNOG-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.22
Rot. Bonds5

About 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide

2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide (PubChem CID 66408507) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide
PubChem CID66408507
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2cc[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-11(2)15(19)18-14-5-3-13(4-6-14)17-10-12-7-8-16-9-12/h3-9,11,16-17H,10H2,1-2H3,(H,18,19)
InChIKeyWQZKLGPUYNFNOG-UHFFFAOYSA-N
XLogP3.22
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66407217
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
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N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
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N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
4-nitro-N-(1H-pyrrol-3-ylmethyl)aniline
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CID 54830466
2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
CID 43683738
3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384852
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 60690893
4-(1H-pyrrol-3-ylmethylamino)benzonitrile
CID 66407609
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
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2-methyl-N-(4-propylphenyl)propanamide
CID 58658667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide (CID 66408507) is 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide is CC(C)C(=O)Nc1ccc(NCc2cc[nH]c2)cc1.
What is the InChIKey of 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide?
The InChIKey is WQZKLGPUYNFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)15(19)18-14-5-3-13(4-6-14)17-10-12-7-8-16-9-12/h3-9,11,16-17H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide?
2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide has a molecular weight of 257.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 66408507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).