1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide

C17H26N2O2 — CID 60963653

IUPAC1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C1(N)CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-10-6-5-9-14(15)13-19(2)16(20)17(18)11-7-4-8-12-17/h5-6,9-10H,3-4,7-8,11-13,18H2,1-2H3
InChIKeyHIQIEUMDOBMQEI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.71
Rot. Bonds5

About 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide

1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 60963653) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID60963653
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C1(N)CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-10-6-5-9-14(15)13-19(2)16(20)17(18)11-7-4-8-12-17/h5-6,9-10H,3-4,7-8,11-13,18H2,1-2H3
InChIKeyHIQIEUMDOBMQEI-UHFFFAOYSA-N
XLogP2.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 81487244
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 63131473
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
(3S)-N-[(2-ethoxyphenyl)methyl]-3-fluoro-N-methylpyrrolidine-3-carboxamide
CID 124588666
1-amino-N-[(2,4-dimethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119267645
1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 60946127
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119278393
N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 170691352
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 60963653) is 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide is CCOc1ccccc1CN(C)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is HIQIEUMDOBMQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-15-10-6-5-9-14(15)13-19(2)16(20)17(18)11-7-4-8-12-17/h5-6,9-10H,3-4,7-8,11-13,18H2,1-2H3.
What are the key properties of 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 60963653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).