N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide

C16H29NO2 — CID 86848272

IUPACN-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide
SMILESCCC1CCC(CNC(=O)CCC2CCCO2)CC1
InChIInChI=1S/C16H29NO2/c1-2-13-5-7-14(8-6-13)12-17-16(18)10-9-15-4-3-11-19-15/h13-15H,2-12H2,1H3,(H,17,18)
InChIKeyZMYCAILWVFFQOJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.28
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide

N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide (PubChem CID 86848272) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide
PubChem CID86848272
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide
SMILESCCC1CCC(CNC(=O)CCC2CCCO2)CC1
InChIInChI=1S/C16H29NO2/c1-2-13-5-7-14(8-6-13)12-17-16(18)10-9-15-4-3-11-19-15/h13-15H,2-12H2,1H3,(H,17,18)
InChIKeyZMYCAILWVFFQOJ-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide (CID 86848272) is N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide is CCC1CCC(CNC(=O)CCC2CCCO2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is ZMYCAILWVFFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-13-5-7-14(8-6-13)12-17-16(18)10-9-15-4-3-11-19-15/h13-15H,2-12H2,1H3,(H,17,18).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide?
N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 267.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 86848272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).