1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide

C19H32N2O3 — CID 3242288

IUPAC1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C19H32N2O3/c1-15(22)21(14-17-10-7-13-24-17)19(11-5-2-6-12-19)18(23)20-16-8-3-4-9-16/h16-17H,2-14H2,1H3,(H,20,23)
InChIKeyLJPUJNSQKPKBMW-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.78
Rot. Bonds5

About 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide

1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide (PubChem CID 3242288) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide
PubChem CID3242288
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C19H32N2O3/c1-15(22)21(14-17-10-7-13-24-17)19(11-5-2-6-12-19)18(23)20-16-8-3-4-9-16/h16-17H,2-14H2,1H3,(H,20,23)
InChIKeyLJPUJNSQKPKBMW-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The IUPAC name of 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide (CID 3242288) is 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide is CC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The InChIKey is LJPUJNSQKPKBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-15(22)21(14-17-10-7-13-24-17)19(11-5-2-6-12-19)18(23)20-16-8-3-4-9-16/h16-17H,2-14H2,1H3,(H,20,23).
What are the key properties of 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(oxolan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide is sourced from PubChem (CID 3242288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).