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

C18H19N3O3 — CID 108514930

IUPACN'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(CN)c2)c1
InChIInChI=1S/C18H19N3O3/c1-12(22)15-6-3-7-16(9-15)21-18(24)17(23)20-11-14-5-2-4-13(8-14)10-19/h2-9H,10-11,19H2,1H3,(H,20,23)(H,21,24)
InChIKeyMWYZXEGEAKDTFC-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.60
Rot. Bonds5

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

N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide (PubChem CID 108514930) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
PubChem CID108514930
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(CN)c2)c1
InChIInChI=1S/C18H19N3O3/c1-12(22)15-6-3-7-16(9-15)21-18(24)17(23)20-11-14-5-2-4-13(8-14)10-19/h2-9H,10-11,19H2,1H3,(H,20,23)(H,21,24)
InChIKeyMWYZXEGEAKDTFC-UHFFFAOYSA-N
XLogP1.60
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984777
N'-(3-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 2989792
N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508692
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
1-[[3-(aminomethyl)phenyl]methyl]-3-(3-bromophenyl)urea
CID 108870136
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011
N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 108518949
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008
N'-(3-acetylphenyl)-N-benzylpropanediamide
CID 108945305

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide (CID 108514930) is N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide is CC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(CN)c2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide?
The InChIKey is MWYZXEGEAKDTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(22)15-6-3-7-16(9-15)21-18(24)17(23)20-11-14-5-2-4-13(8-14)10-19/h2-9H,10-11,19H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide?
N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide has a molecular weight of 325.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide is sourced from PubChem (CID 108514930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).