N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide

C13H15N3O — CID 79100290

IUPACN-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide
SMILESCc1ccc(NC(=O)CNn2cccc2)cc1
InChIInChI=1S/C13H15N3O/c1-11-4-6-12(7-5-11)15-13(17)10-14-16-8-2-3-9-16/h2-9,14H,10H2,1H3,(H,15,17)
InChIKeyCHZVCSFNCTVOGV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.98
Rot. Bonds4

About N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide

N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide (PubChem CID 79100290) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide
PubChem CID79100290
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide
SMILESCc1ccc(NC(=O)CNn2cccc2)cc1
InChIInChI=1S/C13H15N3O/c1-11-4-6-12(7-5-11)15-13(17)10-14-16-8-2-3-9-16/h2-9,14H,10H2,1H3,(H,15,17)
InChIKeyCHZVCSFNCTVOGV-UHFFFAOYSA-N
XLogP1.98
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)
CID 6095733
N-(4-methylphenyl)-2-(1-pyrrol-1-ylpyrrol-2-yl)sulfanylacetamide
CID 66557349
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-(3-ethylpentan-3-ylamino)-N-(4-methylphenyl)acetamide
CID 65039600
N-(4-methylphenyl)pent-4-ynamide
CID 82363120
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 55913610
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide (CID 79100290) is N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide is Cc1ccc(NC(=O)CNn2cccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide?
The InChIKey is CHZVCSFNCTVOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-11-4-6-12(7-5-11)15-13(17)10-14-16-8-2-3-9-16/h2-9,14H,10H2,1H3,(H,15,17).
What are the key properties of N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide?
N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(pyrrol-1-ylamino)acetamide is sourced from PubChem (CID 79100290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).