N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide

C17H26N2O2 — CID 63754045

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1(CN)CCCC(C)C1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-9-5-4-8-14(15)16(20)19-17(12-18)10-6-7-13(2)11-17/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyWWVCPCFBZKKXDN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds5

About N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide (PubChem CID 63754045) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
PubChem CID63754045
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1(CN)CCCC(C)C1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-9-5-4-8-14(15)16(20)19-17(12-18)10-6-7-13(2)11-17/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyWWVCPCFBZKKXDN-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]-2-ethoxybenzamide
CID 63765711
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 119566320
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63754048
1-[1-(aminomethyl)-3-methylcyclohexyl]-3-benzylurea
CID 107654538
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
CID 103970265
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
CID 63756015
N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672843
methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942
N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide
CID 63754520
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
CID 119566114
N-(2-amino-1-cyclopropylethyl)-2-ethoxybenzamide;hydrochloride
CID 119616625
ethane;2-ethoxy-N-methylbenzamide
CID 142472808

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide (CID 63754045) is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC1(CN)CCCC(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide?
The InChIKey is WWVCPCFBZKKXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-15-9-5-4-8-14(15)16(20)19-17(12-18)10-6-7-13(2)11-17/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide is sourced from PubChem (CID 63754045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).