(3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide

C17H29NO — CID 102470877

IUPAC(3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide
SMILESC=C(C(=O)NC1CCCCC1)[C@H](C)CCC=C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)9-8-10-14(3)15(4)17(19)18-16-11-6-5-7-12-16/h9,14,16H,4-8,10-12H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyQQVFFMKTZSNQIZ-CQSZACIVSA-N
MW263.42 g/mol
LogP4.37
Rot. Bonds6

About (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide

(3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide (PubChem CID 102470877) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide
PubChem CID102470877
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide
SMILESC=C(C(=O)NC1CCCCC1)[C@H](C)CCC=C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)9-8-10-14(3)15(4)17(19)18-16-11-6-5-7-12-16/h9,14,16H,4-8,10-12H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyQQVFFMKTZSNQIZ-CQSZACIVSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide?
The IUPAC name of (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide (CID 102470877) is (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide.
What is the SMILES notation for (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide?
The canonical SMILES for (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide is C=C(C(=O)NC1CCCCC1)[C@H](C)CCC=C(C)C.
What is the InChIKey of (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide?
The InChIKey is QQVFFMKTZSNQIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)9-8-10-14(3)15(4)17(19)18-16-11-6-5-7-12-16/h9,14,16H,4-8,10-12H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide?
(3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide has a molecular weight of 263.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-3,7-dimethyl-2-methylideneoct-6-enamide is sourced from PubChem (CID 102470877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).