N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide

C16H30N2O2 — CID 122559584

IUPACN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC1CCN(C2CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-20-11-9-16(19)17-12-14-8-10-18(13-14)15-6-4-3-5-7-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyWUGWCGZMCPPGCF-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds7

About N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide

N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide (PubChem CID 122559584) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
PubChem CID122559584
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC1CCN(C2CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-20-11-9-16(19)17-12-14-8-10-18(13-14)15-6-4-3-5-7-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyWUGWCGZMCPPGCF-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
CID 56785441
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-methoxyacetamide;formic acid
CID 154907735
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63876316
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide
CID 95216515
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide?
The IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide (CID 122559584) is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide.
What is the SMILES notation for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide?
The canonical SMILES for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide is CCOCCC(=O)NCC1CCN(C2CCCCC2)C1.
What is the InChIKey of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide?
The InChIKey is WUGWCGZMCPPGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-20-11-9-16(19)17-12-14-8-10-18(13-14)15-6-4-3-5-7-15/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide?
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide has a molecular weight of 282.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide is sourced from PubChem (CID 122559584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).