3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide

C18H22N2O — CID 61411542

IUPAC3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CN(C)C(=O)CCc2cccc(N)c2)c1
InChIInChI=1S/C18H22N2O/c1-14-5-3-7-16(11-14)13-20(2)18(21)10-9-15-6-4-8-17(19)12-15/h3-8,11-12H,9-10,13,19H2,1-2H3
InChIKeyIVDJWCDMHPPKKS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.17
Rot. Bonds5

About 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide

3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 61411542) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
PubChem CID61411542
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CN(C)C(=O)CCc2cccc(N)c2)c1
InChIInChI=1S/C18H22N2O/c1-14-5-3-7-16(11-14)13-20(2)18(21)10-9-15-6-4-8-17(19)12-15/h3-8,11-12H,9-10,13,19H2,1-2H3
InChIKeyIVDJWCDMHPPKKS-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
3-(3-aminophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropanamide
CID 80700446
3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 80704733
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 115343261
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide (CID 61411542) is 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CN(C)C(=O)CCc2cccc(N)c2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is IVDJWCDMHPPKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-5-3-7-16(11-14)13-20(2)18(21)10-9-15-6-4-8-17(19)12-15/h3-8,11-12H,9-10,13,19H2,1-2H3.
What are the key properties of 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide?
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 61411542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).