4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide

C26H40N2O3 — CID 22568006

IUPAC4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide
SMILESC=CCN(C)CCCCCCOC1CCC(N(C)C(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C26H40N2O3/c1-5-18-27(3)19-8-6-7-9-20-31-25-16-14-24(15-17-25)28(4)26(30)23-12-10-22(11-13-23)21(2)29/h5,10-13,24-25H,1,6-9,14-20H2,2-4H3
InChIKeyCITVDHCINPMNOD-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.97
Rot. Bonds13

About 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide

4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide (PubChem CID 22568006) has the molecular formula C26H40N2O3 and a molecular weight of 428.62 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide
PubChem CID22568006
Molecular FormulaC26H40N2O3
Molecular Weight428.62 g/mol
Exact Mass428.30
IUPAC Name4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide
SMILESC=CCN(C)CCCCCCOC1CCC(N(C)C(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C26H40N2O3/c1-5-18-27(3)19-8-6-7-9-20-31-25-16-14-24(15-17-25)28(4)26(30)23-12-10-22(11-13-23)21(2)29/h5,10-13,24-25H,1,6-9,14-20H2,2-4H3
InChIKeyCITVDHCINPMNOD-UHFFFAOYSA-N
XLogP4.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(4-methylphenyl)-1-[4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexyl]urea
CID 22567913
tert-butyl N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]carbamate
CID 69197678
(4-bromophenyl) N-methyl-N-[4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexyl]carbamate
CID 69194887
(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexyl]carbamate
CID 69194947
[[methyl-[4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexyl]sulfamoyl]amino]methylbenzene
CID 69195620
1-[[methyl-[4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexyl]sulfamoyl]amino]-4-(trifluoromethyl)benzene
CID 69199165
2-[[methyl-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]ethylbenzene
CID 69199802
1,2-difluoro-4-[[methyl-[4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexyl]sulfamoyl]amino]benzene
CID 69195628
4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonic acid
CID 22279392
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
CID 20760582
benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
CID 69198867

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide?
The IUPAC name of 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide (CID 22568006) is 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide?
The canonical SMILES for 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide is C=CCN(C)CCCCCCOC1CCC(N(C)C(=O)c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide?
The InChIKey is CITVDHCINPMNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O3/c1-5-18-27(3)19-8-6-7-9-20-31-25-16-14-24(15-17-25)28(4)26(30)23-12-10-22(11-13-23)21(2)29/h5,10-13,24-25H,1,6-9,14-20H2,2-4H3.
What are the key properties of 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide?
4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide has a molecular weight of 428.62 g/mol, XLogP of 4.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]benzamide is sourced from PubChem (CID 22568006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).