N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide

C17H26N2O2 — CID 103970265

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C17H26N2O2/c1-2-21-15-9-5-4-8-14(15)16(20)19-13-17(12-18)10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13,18H2,1H3,(H,19,20)
InChIKeyWSFMCCJXUSEQNP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide (PubChem CID 103970265) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
PubChem CID103970265
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C17H26N2O2/c1-2-21-15-9-5-4-8-14(15)16(20)19-13-17(12-18)10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13,18H2,1H3,(H,19,20)
InChIKeyWSFMCCJXUSEQNP-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
CID 113313447
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 119566320
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
CID 103970292
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-ethoxybenzamide
CID 63765711
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
CID 63754045
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113313670

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide (CID 103970265) is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC1(CN)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide?
The InChIKey is WSFMCCJXUSEQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-21-15-9-5-4-8-14(15)16(20)19-13-17(12-18)10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13,18H2,1H3,(H,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide is sourced from PubChem (CID 103970265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).