N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide

C18H21N3O2 — CID 108519011

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2cccc(CN)c2)c1
InChIInChI=1S/C18H21N3O2/c1-12-6-7-13(2)16(8-12)21-18(23)17(22)20-11-15-5-3-4-14(9-15)10-19/h3-9H,10-11,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWDXHKARQYUKDJH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.02
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide (PubChem CID 108519011) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
PubChem CID108519011
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2cccc(CN)c2)c1
InChIInChI=1S/C18H21N3O2/c1-12-6-7-13(2)16(8-12)21-18(23)17(22)20-11-15-5-3-4-14(9-15)10-19/h3-9H,10-11,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWDXHKARQYUKDJH-UHFFFAOYSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide 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

N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 108518949
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-hydroxy-5-methylphenyl)butanediamide
CID 59934759
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
CID 108514930
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502199
N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108984747
N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
CID 43589395
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide (CID 108519011) is N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide is Cc1ccc(C)c(NC(=O)C(=O)NCc2cccc(CN)c2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide?
The InChIKey is WDXHKARQYUKDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-6-7-13(2)16(8-12)21-18(23)17(22)20-11-15-5-3-4-14(9-15)10-19/h3-9H,10-11,19H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide has a molecular weight of 311.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide is sourced from PubChem (CID 108519011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).