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

C14H21N3O3 — CID 108506373

IUPACN'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCc1cccc(CN)c1
InChIInChI=1S/C14H21N3O3/c1-20-7-3-6-16-13(18)14(19)17-10-12-5-2-4-11(8-12)9-15/h2,4-5,8H,3,6-7,9-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyQXWWYTHZYLGAQC-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.09
Rot. Bonds7

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

N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide (PubChem CID 108506373) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
PubChem CID108506373
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCc1cccc(CN)c1
InChIInChI=1S/C14H21N3O3/c1-20-7-3-6-16-13(18)14(19)17-10-12-5-2-4-11(8-12)9-15/h2,4-5,8H,3,6-7,9-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyQXWWYTHZYLGAQC-UHFFFAOYSA-N
XLogP-0.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
CID 2212242
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide
CID 43248778
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
CID 2901283
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011
N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 2174276
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
N-(2-aminoethyl)-N'-[[3-(hydroxymethyl)phenyl]methyl]oxamide
CID 107211780
1-[(3-chlorophenyl)methyl]-3-(4-methoxybutyl)urea
CID 47217383

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide (CID 108506373) is N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)NCc1cccc(CN)c1.
What is the InChIKey of N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide?
The InChIKey is QXWWYTHZYLGAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-7-3-6-16-13(18)14(19)17-10-12-5-2-4-11(8-12)9-15/h2,4-5,8H,3,6-7,9-10,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide?
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide has a molecular weight of 279.34 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 108506373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).