N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide

C17H24ClN3O2 — CID 167907697

IUPACN'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide
SMILESCc1c(Cl)cccc1CNC(=O)C(=O)NC1CCCCC1CN
InChIInChI=1S/C17H24ClN3O2/c1-11-13(6-4-7-14(11)18)10-20-16(22)17(23)21-15-8-3-2-5-12(15)9-19/h4,6-7,12,15H,2-3,5,8-10,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyZVXBWDJOLMXJPN-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.90
Rot. Bonds4

About N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide

N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide (PubChem CID 167907697) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide
PubChem CID167907697
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide
SMILESCc1c(Cl)cccc1CNC(=O)C(=O)NC1CCCCC1CN
InChIInChI=1S/C17H24ClN3O2/c1-11-13(6-4-7-14(11)18)10-20-16(22)17(23)21-15-8-3-2-5-12(15)9-19/h4,6-7,12,15H,2-3,5,8-10,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyZVXBWDJOLMXJPN-UHFFFAOYSA-N
XLogP1.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.90
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'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide
CID 167965216
(3-chloro-2-methylphenyl)methylurea
CID 118069885
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
CID 125145081
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119612506
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
CID 107098127
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46998796
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681

Frequently Asked Questions

What is the IUPAC name of N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide (CID 167907697) is N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide is Cc1c(Cl)cccc1CNC(=O)C(=O)NC1CCCCC1CN.
What is the InChIKey of N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide?
The InChIKey is ZVXBWDJOLMXJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-11-13(6-4-7-14(11)18)10-20-16(22)17(23)21-15-8-3-2-5-12(15)9-19/h4,6-7,12,15H,2-3,5,8-10,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide?
N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide has a molecular weight of 337.85 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 167907697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).