N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide

C18H21N3O2 — CID 108518553

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)NCc1cccc(CN)c1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-21(16-9-4-3-5-10-16)18(23)17(22)20-13-15-8-6-7-14(11-15)12-19/h3-11H,2,12-13,19H2,1H3,(H,20,22)
InChIKeyVRRASRBOBLUFKU-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.81
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide (PubChem CID 108518553) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide
PubChem CID108518553
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)NCc1cccc(CN)c1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-21(16-9-4-3-5-10-16)18(23)17(22)20-13-15-8-6-7-14(11-15)12-19/h3-11H,2,12-13,19H2,1H3,(H,20,22)
InChIKeyVRRASRBOBLUFKU-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
CID 108985887
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide
CID 108518202
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520362
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 108506084
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide
CID 108519062

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide (CID 108518553) is N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide is CCN(C(=O)C(=O)NCc1cccc(CN)c1)c1ccccc1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide?
The InChIKey is VRRASRBOBLUFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-21(16-9-4-3-5-10-16)18(23)17(22)20-13-15-8-6-7-14(11-15)12-19/h3-11H,2,12-13,19H2,1H3,(H,20,22).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide has a molecular weight of 311.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide is sourced from PubChem (CID 108518553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).