N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide

C13H25NO2 — CID 104920484

IUPACN-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCN(CCCO)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-4-14(9-6-10-15)12(16)11-7-5-8-13(11,2)3/h11,15H,4-10H2,1-3H3
InChIKeyMXONBYFEHZQMEQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide

N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104920484) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104920484
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCN(CCCO)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-4-14(9-6-10-15)12(16)11-7-5-8-13(11,2)3/h11,15H,4-10H2,1-3H3
InChIKeyMXONBYFEHZQMEQ-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 104920484) is N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide is CCN(CCCO)C(=O)C1CCCC1(C)C.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is MXONBYFEHZQMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-14(9-6-10-15)12(16)11-7-5-8-13(11,2)3/h11,15H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104920484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).