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

C14H17N3O — CID 55060453

IUPACN-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc[nH]2)c1
InChIInChI=1S/C14H17N3O/c1-10-5-6-12(17-11(2)18)8-14(10)16-9-13-4-3-7-15-13/h3-8,15-16H,9H2,1-2H3,(H,17,18)
InChIKeyZVVHTMLIQBHRLT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.89
Rot. Bonds4

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

N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide (PubChem CID 55060453) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
PubChem CID55060453
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc[nH]2)c1
InChIInChI=1S/C14H17N3O/c1-10-5-6-12(17-11(2)18)8-14(10)16-9-13-4-3-7-15-13/h3-8,15-16H,9H2,1-2H3,(H,17,18)
InChIKeyZVVHTMLIQBHRLT-UHFFFAOYSA-N
XLogP2.89
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
3-fluoro-4-methyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327524
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60537701
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide
CID 81412241
N-(3,4-dimethylphenyl)-3-(1H-pyrrol-2-yl)propanamide
CID 110685236
N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61171799

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide (CID 55060453) is N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2ccc[nH]2)c1.
What is the InChIKey of N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide?
The InChIKey is ZVVHTMLIQBHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-5-6-12(17-11(2)18)8-14(10)16-9-13-4-3-7-15-13/h3-8,15-16H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide?
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 55060453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).