N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide

C17H20N2O — CID 62058474

IUPACN-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(C)c(N)c2)c1
InChIInChI=1S/C17H20N2O/c1-12-4-3-5-14(10-12)7-9-17(20)19-15-8-6-13(2)16(18)11-15/h3-6,8,10-11H,7,9,18H2,1-2H3,(H,19,20)
InChIKeyWJGFYKZBIGQQSE-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds4

About N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide

N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide (PubChem CID 62058474) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
PubChem CID62058474
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(C)c(N)c2)c1
InChIInChI=1S/C17H20N2O/c1-12-4-3-5-14(10-12)7-9-17(20)19-15-8-6-13(2)16(18)11-15/h3-6,8,10-11H,7,9,18H2,1-2H3,(H,19,20)
InChIKeyWJGFYKZBIGQQSE-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 62367240
N-(4-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 79994081
N-(4-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365344
N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
CID 114299156
N-(3-amino-5-fluorophenyl)-3-(3-methylphenyl)propanamide
CID 107333898
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(3-amino-4-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399667
N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
CID 82881123
N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide (CID 62058474) is N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ccc(C)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide?
The InChIKey is WJGFYKZBIGQQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-4-3-5-14(10-12)7-9-17(20)19-15-8-6-13(2)16(18)11-15/h3-6,8,10-11H,7,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide?
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)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 N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 62058474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).