3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide

C17H20N2O — CID 28713053

IUPAC3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-3-4-13(2)16(11-12)19-17(20)10-7-14-5-8-15(18)9-6-14/h3-6,8-9,11H,7,10,18H2,1-2H3,(H,19,20)
InChIKeyPLWPBCHWWOJORQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide

3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 28713053) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID28713053
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-3-4-13(2)16(11-12)19-17(20)10-7-14-5-8-15(18)9-6-14/h3-6,8-9,11H,7,10,18H2,1-2H3,(H,19,20)
InChIKeyPLWPBCHWWOJORQ-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 82153666
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
CID 9314118
3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63669494
N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride
CID 120568459
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 99706775
2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate
CID 17339054
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide (CID 28713053) is 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCc2ccc(N)cc2)c1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is PLWPBCHWWOJORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-4-13(2)16(11-12)19-17(20)10-7-14-5-8-15(18)9-6-14/h3-6,8-9,11H,7,10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide?
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 28713053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).