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

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
3-(ethylamino)-2-methyl-N-(2-methylcyclohexyl)propanamide
CID 62853775
N-cyclobutyl-3-(ethylamino)-2-methylpropanamide
CID 62839829
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 107222022
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)-2-methylpropanamide
CID 63998973
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide
CID 124855975
2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107221949
N-(2-cyclohexylethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853087

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).