4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide

C18H26N2O3 — CID 110015673

IUPAC4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCCC1O
InChIInChI=1S/C18H26N2O3/c1-4-20(18(23)15-6-5-7-16(15)21)12-13-8-10-14(11-9-13)17(22)19(2)3/h8-11,15-16,21H,4-7,12H2,1-3H3
InChIKeyYFQVVGUAKSPJBK-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.90
Rot. Bonds5

About 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide

4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 110015673) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID110015673
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCCC1O
InChIInChI=1S/C18H26N2O3/c1-4-20(18(23)15-6-5-7-16(15)21)12-13-8-10-14(11-9-13)17(22)19(2)3/h8-11,15-16,21H,4-7,12H2,1-3H3
InChIKeyYFQVVGUAKSPJBK-UHFFFAOYSA-N
XLogP1.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119318530
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 56511013
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 56512423
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737162
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
4-[[ethyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512059
1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 56512324
4-[[buta-2,3-dienoyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
CID 167790546
1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 56511645
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene
CID 145373799
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-hydroxycyclopentane-1-carboxamide
CID 110015978

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide (CID 110015673) is 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCCC1O.
What is the InChIKey of 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is YFQVVGUAKSPJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-20(18(23)15-6-5-7-16(15)21)12-13-8-10-14(11-9-13)17(22)19(2)3/h8-11,15-16,21H,4-7,12H2,1-3H3.
What are the key properties of 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide?
4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 318.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110015673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).