N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide

C15H28N2O — CID 108993945

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
SMILESCC(C)CCNCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H28N2O/c1-13(2)8-10-16-12-15(18)17-11-9-14-6-4-3-5-7-14/h6,13,16H,3-5,7-12H2,1-2H3,(H,17,18)
InChIKeyFKWACYWPYYNPAE-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.63
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide (PubChem CID 108993945) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
PubChem CID108993945
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
SMILESCC(C)CCNCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H28N2O/c1-13(2)8-10-16-12-15(18)17-11-9-14-6-4-3-5-7-14/h6,13,16H,3-5,7-12H2,1-2H3,(H,17,18)
InChIKeyFKWACYWPYYNPAE-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074952
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 108993859

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide (CID 108993945) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide is CC(C)CCNCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide?
The InChIKey is FKWACYWPYYNPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)8-10-16-12-15(18)17-11-9-14-6-4-3-5-7-14/h6,13,16H,3-5,7-12H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide has a molecular weight of 252.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide is sourced from PubChem (CID 108993945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).