1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide

C17H26N2O2 — CID 81487244

IUPAC1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C1(CN)CCCC1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-9-5-4-8-14(15)12-19(2)16(20)17(13-18)10-6-7-11-17/h4-5,8-9H,3,6-7,10-13,18H2,1-2H3
InChIKeyVHXPPKVQNCSGHN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.56
Rot. Bonds6

About 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide

1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 81487244) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
PubChem CID81487244
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C1(CN)CCCC1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-9-5-4-8-14(15)12-19(2)16(20)17(13-18)10-6-7-11-17/h4-5,8-9H,3,6-7,10-13,18H2,1-2H3
InChIKeyVHXPPKVQNCSGHN-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916
1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60963653
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 63131473
(3S)-N-[(2-ethoxyphenyl)methyl]-3-fluoro-N-methylpyrrolidine-3-carboxamide
CID 124588666
1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115437487
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 113312820
3-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 63131997
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
4-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 63128870
N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 170691352

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide (CID 81487244) is 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide is CCOc1ccccc1CN(C)C(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is VHXPPKVQNCSGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-15-9-5-4-8-14(15)12-19(2)16(20)17(13-18)10-6-7-11-17/h4-5,8-9H,3,6-7,10-13,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 81487244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).