(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide

C15H19NO3 — CID 51469355

IUPAC(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC=CCC2)c(OC)c1
InChIInChI=1S/C15H19NO3/c1-18-12-8-9-13(14(10-12)19-2)16-15(17)11-6-4-3-5-7-11/h3-4,8-11H,5-7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyJXNNRVCIDKYRKQ-NSHDSACASA-N
MW261.32 g/mol
LogP3.00
Rot. Bonds4

About (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide

(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 51469355) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID51469355
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC=CCC2)c(OC)c1
InChIInChI=1S/C15H19NO3/c1-18-12-8-9-13(14(10-12)19-2)16-15(17)11-6-4-3-5-7-11/h3-4,8-11H,5-7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyJXNNRVCIDKYRKQ-NSHDSACASA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932095
N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 16602989
(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94484941
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243
N'-(cyclohex-3-ene-1-carbonyl)-4-methoxybenzohydrazide
CID 2843839
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide (CID 51469355) is (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide is COc1ccc(NC(=O)[C@H]2CC=CCC2)c(OC)c1.
What is the InChIKey of (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JXNNRVCIDKYRKQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-12-8-9-13(14(10-12)19-2)16-15(17)11-6-4-3-5-7-11/h3-4,8-11H,5-7H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51469355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).