N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine

C30H40N2O — CID 143112675

IUPACN-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine
SMILESCCCc1cccc(CCC(=O)N(C)CCc2ccccc2C)c1.CNCc1ccccc1
InChIInChI=1S/C22H29NO.C8H11N/c1-4-8-19-10-7-11-20(17-19)13-14-22(24)23(3)16-15-21-12-6-5-9-18(21)2;1-9-7-8-5-3-2-4-6-8/h5-7,9-12,17H,4,8,13-16H2,1-3H3;2-6,9H,7H2,1H3
InChIKeyZBQUDTHSKUHMGB-UHFFFAOYSA-N
MW444.66 g/mol
LogP5.99
Rot. Bonds10

About N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine

N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine (PubChem CID 143112675) has the molecular formula C30H40N2O and a molecular weight of 444.66 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine
PubChem CID143112675
Molecular FormulaC30H40N2O
Molecular Weight444.66 g/mol
Exact Mass444.31
IUPAC NameN-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine
SMILESCCCc1cccc(CCC(=O)N(C)CCc2ccccc2C)c1.CNCc1ccccc1
InChIInChI=1S/C22H29NO.C8H11N/c1-4-8-19-10-7-11-20(17-19)13-14-22(24)23(3)16-15-21-12-6-5-9-18(21)2;1-9-7-8-5-3-2-4-6-8/h5-7,9-12,17H,4,8,13-16H2,1-3H3;2-6,9H,7H2,1H3
InChIKeyZBQUDTHSKUHMGB-UHFFFAOYSA-N
XLogP5.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 94689747
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 23577992
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
4-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzoic acid
CID 119179454
N-(cyanomethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62367425
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
2-(2-methylphenyl)ethyl-propylcarbamic acid
CID 144705989
4-[[methyl-[3-(2-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119225951
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187
2-(ethylamino)-N-methyl-N-[2-(3-methylphenyl)ethyl]acetamide
CID 115158122

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine?
The IUPAC name of N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine (CID 143112675) is N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine?
The canonical SMILES for N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine is CCCc1cccc(CCC(=O)N(C)CCc2ccccc2C)c1.CNCc1ccccc1.
What is the InChIKey of N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine?
The InChIKey is ZBQUDTHSKUHMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.C8H11N/c1-4-8-19-10-7-11-20(17-19)13-14-22(24)23(3)16-15-21-12-6-5-9-18(21)2;1-9-7-8-5-3-2-4-6-8/h5-7,9-12,17H,4,8,13-16H2,1-3H3;2-6,9H,7H2,1H3.
What are the key properties of N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine?
N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine has a molecular weight of 444.66 g/mol, XLogP of 5.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylphenyl)ethyl]-3-(3-propylphenyl)propanamide;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 143112675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).