2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide

C16H21N3O — CID 80556333

IUPAC2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
SMILESCc1ccc(C)n1NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H21N3O/c1-11-5-6-12(2)19(11)18-15(20)16(3,4)13-7-9-14(17)10-8-13/h5-10H,17H2,1-4H3,(H,18,20)
InChIKeySIYDVDXSCBZPSV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide

2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide (PubChem CID 80556333) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
PubChem CID80556333
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
SMILESCc1ccc(C)n1NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H21N3O/c1-11-5-6-12(2)19(11)18-15(20)16(3,4)13-7-9-14(17)10-8-13/h5-10H,17H2,1-4H3,(H,18,20)
InChIKeySIYDVDXSCBZPSV-UHFFFAOYSA-N
XLogP2.74
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-cyano-2-methylpropanamide
CID 80556066
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
2-(4-aminophenyl)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide
CID 80556193
2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide
CID 80555846
2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
CID 80556063
2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3,3-dimethylbutanoic acid
CID 80555297
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide
CID 112674142
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide (CID 80556333) is 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide is Cc1ccc(C)n1NC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide?
The InChIKey is SIYDVDXSCBZPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-5-6-12(2)19(11)18-15(20)16(3,4)13-7-9-14(17)10-8-13/h5-10H,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 80556333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).