N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide

C17H25N3O2 — CID 108518943

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide
SMILESCC1CCCCC1NC(=O)C(=O)NCc1cccc(CN)c1
InChIInChI=1S/C17H25N3O2/c1-12-5-2-3-8-15(12)20-17(22)16(21)19-11-14-7-4-6-13(9-14)10-18/h4,6-7,9,12,15H,2-3,5,8,10-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyJGGLDJINMGVZAX-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.46
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide (PubChem CID 108518943) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide
PubChem CID108518943
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide
SMILESCC1CCCCC1NC(=O)C(=O)NCc1cccc(CN)c1
InChIInChI=1S/C17H25N3O2/c1-12-5-2-3-8-15(12)20-17(22)16(21)19-11-14-7-4-6-13(9-14)10-18/h4,6-7,9,12,15H,2-3,5,8,10-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyJGGLDJINMGVZAX-UHFFFAOYSA-N
XLogP1.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.46
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'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
CID 125145081
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
N-[[3-(aminomethyl)phenyl]methyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108518961
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 124605769
N-[[3-(aminomethyl)phenyl]methyl]-N'-(1-benzylpiperidin-4-yl)oxamide
CID 108519062
N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108518907
N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide
CID 108519038
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide (CID 108518943) is N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide is CC1CCCCC1NC(=O)C(=O)NCc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide?
The InChIKey is JGGLDJINMGVZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-5-2-3-8-15(12)20-17(22)16(21)19-11-14-7-4-6-13(9-14)10-18/h4,6-7,9,12,15H,2-3,5,8,10-11,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide has a molecular weight of 303.41 g/mol, XLogP of 1.46, 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-methylcyclohexyl)oxamide is sourced from PubChem (CID 108518943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).