N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide

C18H22N2O — CID 62367240

IUPACN-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2c(C)ccc(N)c2C)c1
InChIInChI=1S/C18H22N2O/c1-12-5-4-6-15(11-12)8-10-17(21)20-18-13(2)7-9-16(19)14(18)3/h4-7,9,11H,8,10,19H2,1-3H3,(H,20,21)
InChIKeyLNZQYZIKEJDRII-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.77
Rot. Bonds4

About N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide

N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide (PubChem CID 62367240) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
PubChem CID62367240
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2c(C)ccc(N)c2C)c1
InChIInChI=1S/C18H22N2O/c1-12-5-4-6-15(11-12)8-10-17(21)20-18-13(2)7-9-16(19)14(18)3/h4-7,9,11H,8,10,19H2,1-3H3,(H,20,21)
InChIKeyLNZQYZIKEJDRII-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.77
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-(4-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 79994081
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62367069
N-(3-amino-5-fluorophenyl)-3-(3-methylphenyl)propanamide
CID 107333898
N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
CID 78965143
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 28713525
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82726212

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide (CID 62367240) is N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2c(C)ccc(N)c2C)c1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide?
The InChIKey is LNZQYZIKEJDRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-5-4-6-15(11-12)8-10-17(21)20-18-13(2)7-9-16(19)14(18)3/h4-7,9,11H,8,10,19H2,1-3H3,(H,20,21).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide?
N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 62367240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).