(1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide

C15H19NO2 — CID 125489641

IUPAC(1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(C2=CC[C@H](C(N)=O)[C@H](C)C2)cc1
InChIInChI=1S/C15H19NO2/c1-10-9-12(5-8-14(10)15(16)17)11-3-6-13(18-2)7-4-11/h3-7,10,14H,8-9H2,1-2H3,(H2,16,17)/t10-,14+/m1/s1
InChIKeyBQZUXTDBGWGDJA-YGRLFVJLSA-N
MW245.32 g/mol
LogP2.61
Rot. Bonds3

About (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide

(1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide (PubChem CID 125489641) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide
PubChem CID125489641
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(C2=CC[C@H](C(N)=O)[C@H](C)C2)cc1
InChIInChI=1S/C15H19NO2/c1-10-9-12(5-8-14(10)15(16)17)11-3-6-13(18-2)7-4-11/h3-7,10,14H,8-9H2,1-2H3,(H2,16,17)/t10-,14+/m1/s1
InChIKeyBQZUXTDBGWGDJA-YGRLFVJLSA-N
XLogP2.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide (CID 125489641) is (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide is COc1ccc(C2=CC[C@H](C(N)=O)[C@H](C)C2)cc1.
What is the InChIKey of (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is BQZUXTDBGWGDJA-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-9-12(5-8-14(10)15(16)17)11-3-6-13(18-2)7-4-11/h3-7,10,14H,8-9H2,1-2H3,(H2,16,17)/t10-,14+/m1/s1.
What are the key properties of (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide?
(1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 125489641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).