(E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide

C17H31NO2 — CID 10379004

IUPAC(E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide
SMILESCCCCCC/C(=C\C(=O)N(C)C)C1(O)CCCCC1
InChIInChI=1S/C17H31NO2/c1-4-5-6-8-11-15(14-16(19)18(2)3)17(20)12-9-7-10-13-17/h14,20H,4-13H2,1-3H3/b15-14+
InChIKeyRSMIFSNDMSVCJB-CCEZHUSRSA-N
MW281.44 g/mol
LogP3.67
Rot. Bonds7

About (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide

(E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide (PubChem CID 10379004) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide
PubChem CID10379004
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide
SMILESCCCCCC/C(=C\C(=O)N(C)C)C1(O)CCCCC1
InChIInChI=1S/C17H31NO2/c1-4-5-6-8-11-15(14-16(19)18(2)3)17(20)12-9-7-10-13-17/h14,20H,4-13H2,1-3H3/b15-14+
InChIKeyRSMIFSNDMSVCJB-CCEZHUSRSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide
CID 10083625
(E)-3,4-dicyclohexyl-4-hydroxy-N,N-dimethylbut-2-enamide
CID 101613957
(E)-3-[cyclohexyl(hydroxy)methyl]-N,N-dimethylnon-2-enamide
CID 101613972

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide?
The IUPAC name of (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide (CID 10379004) is (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide.
What is the SMILES notation for (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide?
The canonical SMILES for (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide is CCCCCC/C(=C\C(=O)N(C)C)C1(O)CCCCC1.
What is the InChIKey of (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide?
The InChIKey is RSMIFSNDMSVCJB-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H31NO2/c1-4-5-6-8-11-15(14-16(19)18(2)3)17(20)12-9-7-10-13-17/h14,20H,4-13H2,1-3H3/b15-14+.
What are the key properties of (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide?
(E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide has a molecular weight of 281.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide is sourced from PubChem (CID 10379004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).