3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide

C13H26N2O2 — CID 113394748

IUPAC3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC1CCCCCC1O
InChIInChI=1S/C13H26N2O2/c1-3-14-9-10(2)13(17)15-11-7-5-4-6-8-12(11)16/h10-12,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyHRBQSYCBTRWBCI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds5

About 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide

3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide (PubChem CID 113394748) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide
PubChem CID113394748
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC1CCCCCC1O
InChIInChI=1S/C13H26N2O2/c1-3-14-9-10(2)13(17)15-11-7-5-4-6-8-12(11)16/h10-12,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyHRBQSYCBTRWBCI-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide 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

Clavaminol N
CID 44127629
Clavaminol C
CID 44424870
N-[(2S)-1,3-Dihydroxynonan-2-yl]-3-methylbutanamide
CID 44421751
N-[(2S,3R)-3-hydroxyheptadecan-2-yl]-2,2-dimethylpropanamide
CID 164612521
N-[(2S,3S)-3-hydroxyheptadecan-2-yl]-2,2-dimethylpropanamide
CID 164623599
N-[(2R,3R)-3-hydroxyheptadecan-2-yl]-2,2-dimethylpropanamide
CID 164625265
N-[(2R,3S)-3-hydroxyheptadecan-2-yl]-2,2-dimethylpropanamide
CID 164625906
N-[(2R,3S)-3-hydroxyundecan-2-yl]acetamide
CID 44424871
N-(3-hydroxydodecan-2-yl)acetamide
CID 76387446
3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide
CID 103310228
3,3,3-trifluoro-N-(2-hydroxycycloheptyl)propanamide
CID 104282348
N-(3-hydroxyundecan-2-yl)acetamide
CID 163035977

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide (CID 113394748) is 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide is CCNCC(C)C(=O)NC1CCCCCC1O.
What is the InChIKey of 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide?
The InChIKey is HRBQSYCBTRWBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-14-9-10(2)13(17)15-11-7-5-4-6-8-12(11)16/h10-12,14,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide?
3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide is sourced from PubChem (CID 113394748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).