N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide

C18H21N3O2 — CID 108518093

IUPACN'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCc2cccc(CN)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-5-7-14(8-6-13)11-20-17(22)18(23)21-12-16-4-2-3-15(9-16)10-19/h2-9H,10-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyWKKQMRWTGPCDLQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.39
Rot. Bonds5

About N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide

N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 108518093) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID108518093
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCc2cccc(CN)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-5-7-14(8-6-13)11-20-17(22)18(23)21-12-16-4-2-3-15(9-16)10-19/h2-9H,10-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyWKKQMRWTGPCDLQ-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 108518949
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-methylphenoxy)methyl]urea
CID 108892925
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
CID 43589395
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-bromophenyl)methyl]urea
CID 108899439
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
1-[[3-(aminomethyl)phenyl]methyl]-3-[[4-[[[3-(aminomethyl)phenyl]methylcarbamothioylamino]methyl]phenyl]methyl]thiourea
CID 10743755
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 108506084
N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
CID 108514930

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide (CID 108518093) is N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCc2cccc(CN)c2)cc1.
What is the InChIKey of N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is WKKQMRWTGPCDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-7-14(8-6-13)11-20-17(22)18(23)21-12-16-4-2-3-15(9-16)10-19/h2-9H,10-12,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide?
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 311.39 g/mol, XLogP of 1.39, 5 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-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108518093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).