[3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate

C19H26N2O3 — CID 138698775

IUPAC[3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate
SMILESC=C(C)C1CCC(C)=CC1c1c(OC)cc(NC)cc1OC(N)=O
InChIInChI=1S/C19H26N2O3/c1-11(2)14-7-6-12(3)8-15(14)18-16(23-5)9-13(21-4)10-17(18)24-19(20)22/h8-10,14-15,21H,1,6-7H2,2-5H3,(H2,20,22)
InChIKeyLXGNKDFUVIVOLV-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.21
Rot. Bonds5

About [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate

[3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate (PubChem CID 138698775) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate.

Molecular Properties

Compound Name[3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate
PubChem CID138698775
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate
SMILESC=C(C)C1CCC(C)=CC1c1c(OC)cc(NC)cc1OC(N)=O
InChIInChI=1S/C19H26N2O3/c1-11(2)14-7-6-12(3)8-15(14)18-16(23-5)9-13(21-4)10-17(18)24-19(20)22/h8-10,14-15,21H,1,6-7H2,2-5H3,(H2,20,22)
InChIKeyLXGNKDFUVIVOLV-UHFFFAOYSA-N
XLogP4.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methoxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 4-acetylbenzoate
CID 177114646
[3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate
CID 15139512
1-methoxy-3-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene
CID 156727307
[3-(2-hydroxyacetyl)oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-hydroxyacetate
CID 25177323
[3-methoxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 4-acetyl-1H-imidazole-5-carboxylate
CID 177114651
methyl (2S)-2-[[2,4-dihydroxy-6-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzoyl]amino]propanoate
CID 156715930
methyl (1R,2R)-2-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-ene-1-carboxylate
CID 53376844
[3-methoxy-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 3-morpholin-4-ylpropanoate
CID 25028040
1,3-dimethoxy-4-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene
CID 169220725
3-methoxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(2-phenylethyl)phenol
CID 164818433
2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 155318975
[3-[3-(dimethylamino)propanoyloxy]-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3-(dimethylamino)propanoate
CID 25177095

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate?
The IUPAC name of [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate (CID 138698775) is [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate.
What is the SMILES notation for [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate?
The canonical SMILES for [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate is C=C(C)C1CCC(C)=CC1c1c(OC)cc(NC)cc1OC(N)=O.
What is the InChIKey of [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate?
The InChIKey is LXGNKDFUVIVOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-11(2)14-7-6-12(3)8-15(14)18-16(23-5)9-13(21-4)10-17(18)24-19(20)22/h8-10,14-15,21H,1,6-7H2,2-5H3,(H2,20,22).
What are the key properties of [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate?
[3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate has a molecular weight of 330.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-(methylamino)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenyl] carbamate is sourced from PubChem (CID 138698775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).