N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane

C19H37NO — CID 143559760

IUPACN,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane
SMILESCC.CCC1=CCCCC1CCCCC(=O)N(CC)CC
InChIInChI=1S/C17H31NO.C2H6/c1-4-15-11-7-8-12-16(15)13-9-10-14-17(19)18(5-2)6-3;1-2/h11,16H,4-10,12-14H2,1-3H3;1-2H3
InChIKeyHHSIHHVRFDLMHF-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.58
Rot. Bonds8

About N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane

N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane (PubChem CID 143559760) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane.

Molecular Properties

Compound NameN,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane
PubChem CID143559760
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane
SMILESCC.CCC1=CCCCC1CCCCC(=O)N(CC)CC
InChIInChI=1S/C17H31NO.C2H6/c1-4-15-11-7-8-12-16(15)13-9-10-14-17(19)18(5-2)6-3;1-2/h11,16H,4-10,12-14H2,1-3H3;1-2H3
InChIKeyHHSIHHVRFDLMHF-UHFFFAOYSA-N
XLogP5.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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CID 6436342
(Z)-N,N-Diethyl-9-octadecenamide
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CID 44270317
hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one
CID 11970583
1-Cyclohexene-1-acetamide, 4-cyclohexyl-N-ethyl-alpha-methyl-
CID 206764
5,9-dimethyl-N-octyldec-8-enamide
CID 44561012
9-Octadecenamide, N,N-dipropyl-
CID 551623
N,N-Diisobutyloleamide
CID 6432882
2-[(1S,4S,6S)-3-methyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029966
N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
CID 3110817
23-Methyl-tetracos-5,9-dienoic acid, pyrrolidide
CID 91705239
N-oleoyl-4-methylpiperidin
CID 70607554

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane?
The IUPAC name of N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane (CID 143559760) is N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane.
What is the SMILES notation for N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane?
The canonical SMILES for N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane is CC.CCC1=CCCCC1CCCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane?
The InChIKey is HHSIHHVRFDLMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO.C2H6/c1-4-15-11-7-8-12-16(15)13-9-10-14-17(19)18(5-2)6-3;1-2/h11,16H,4-10,12-14H2,1-3H3;1-2H3.
What are the key properties of N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane?
N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane has a molecular weight of 295.51 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(2-ethylcyclohex-2-en-1-yl)pentanamide;ethane is sourced from PubChem (CID 143559760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).