N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide

C16H24N2O2 — CID 109014635

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccco1)NCCC1=CCCCC1
InChIInChI=1S/C16H24N2O2/c19-16(9-10-17-13-15-7-4-12-20-15)18-11-8-14-5-2-1-3-6-14/h4-5,7,12,17H,1-3,6,8-11,13H2,(H,18,19)
InChIKeyGZFGBXBQKPLWEL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide (PubChem CID 109014635) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
PubChem CID109014635
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccco1)NCCC1=CCCCC1
InChIInChI=1S/C16H24N2O2/c19-16(9-10-17-13-15-7-4-12-20-15)18-11-8-14-5-2-1-3-6-14/h4-5,7,12,17H,1-3,6,8-11,13H2,(H,18,19)
InChIKeyGZFGBXBQKPLWEL-UHFFFAOYSA-N
XLogP2.77
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2210389
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide
CID 110865984
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45237272
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109299470
N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109275380
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 119073948
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082049

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide (CID 109014635) is N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide is O=C(CCNCc1ccco1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide?
The InChIKey is GZFGBXBQKPLWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-16(9-10-17-13-15-7-4-12-20-15)18-11-8-14-5-2-1-3-6-14/h4-5,7,12,17H,1-3,6,8-11,13H2,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide is sourced from PubChem (CID 109014635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).