N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide

C17H26N2O3 — CID 119609171

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
SMILESCOCCOc1cccc(C(=O)NC2CCCCC2CN)c1
InChIInChI=1S/C17H26N2O3/c1-21-9-10-22-15-7-4-6-13(11-15)17(20)19-16-8-3-2-5-14(16)12-18/h4,6-7,11,14,16H,2-3,5,8-10,12,18H2,1H3,(H,19,20)
InChIKeyWQIHREDSLUKTAP-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.96
Rot. Bonds7

About N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide

N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide (PubChem CID 119609171) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
PubChem CID119609171
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
SMILESCOCCOc1cccc(C(=O)NC2CCCCC2CN)c1
InChIInChI=1S/C17H26N2O3/c1-21-9-10-22-15-7-4-6-13(11-15)17(20)19-16-8-3-2-5-14(16)12-18/h4,6-7,11,14,16H,2-3,5,8-10,12,18H2,1H3,(H,19,20)
InChIKeyWQIHREDSLUKTAP-UHFFFAOYSA-N
XLogP1.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 119611426
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-cyclopentyloxy-3-(2-methoxyethoxy)benzamide
CID 75442730
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclopentyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 119603057

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide (CID 119609171) is N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide is COCCOc1cccc(C(=O)NC2CCCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide?
The InChIKey is WQIHREDSLUKTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-9-10-22-15-7-4-6-13(11-15)17(20)19-16-8-3-2-5-14(16)12-18/h4,6-7,11,14,16H,2-3,5,8-10,12,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide?
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 119609171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).