N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide

C13H25NO2 — CID 115771846

IUPACN-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
SMILESCCN(CCCO)C(=O)C1CCCCCC1
InChIInChI=1S/C13H25NO2/c1-2-14(10-7-11-15)13(16)12-8-5-3-4-6-9-12/h12,15H,2-11H2,1H3
InChIKeyJNWIEFFCFFAPLT-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide

N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide (PubChem CID 115771846) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
PubChem CID115771846
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
SMILESCCN(CCCO)C(=O)C1CCCCCC1
InChIInChI=1S/C13H25NO2/c1-2-14(10-7-11-15)13(16)12-8-5-3-4-6-9-12/h12,15H,2-11H2,1H3
InChIKeyJNWIEFFCFFAPLT-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 113340557
N-ethyl-N-(3-hydroxypropyl)cyclopent-3-ene-1-carboxamide
CID 115771738
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
N-ethyl-N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 115771580
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
N-(2-aminoethyl)-N-butylcyclooctanecarboxamide
CID 65020868
N-ethyl-N-prop-2-ynylcyclopentanecarboxamide
CID 78970864
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide (CID 115771846) is N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide is CCN(CCCO)C(=O)C1CCCCCC1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide?
The InChIKey is JNWIEFFCFFAPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-14(10-7-11-15)13(16)12-8-5-3-4-6-9-12/h12,15H,2-11H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide?
N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.19, 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)cycloheptanecarboxamide is sourced from PubChem (CID 115771846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).