N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide

C18H28N2O2 — CID 110013782

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1CCCC1O
InChIInChI=1S/C18H28N2O2/c1-3-20(4-2)13-15-9-6-5-8-14(15)12-19-18(22)16-10-7-11-17(16)21/h5-6,8-9,16-17,21H,3-4,7,10-13H2,1-2H3,(H,19,22)
InChIKeyILSHVOGGIUWFQH-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.31
Rot. Bonds7

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110013782) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110013782
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1CCCC1O
InChIInChI=1S/C18H28N2O2/c1-3-20(4-2)13-15-9-6-5-8-14(15)12-19-18(22)16-10-7-11-17(16)21/h5-6,8-9,16-17,21H,3-4,7,10-13H2,1-2H3,(H,19,22)
InChIKeyILSHVOGGIUWFQH-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119836070
N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60717846
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836069
2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110015310
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171767
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836114
1-(benzenesulfonyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46671481
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46698211
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438029

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide (CID 110013782) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)C1CCCC1O.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is ILSHVOGGIUWFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-20(4-2)13-15-9-6-5-8-14(15)12-19-18(22)16-10-7-11-17(16)21/h5-6,8-9,16-17,21H,3-4,7,10-13H2,1-2H3,(H,19,22).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110013782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).