(3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide

C24H37F2NO2 — CID 144747655

IUPAC(3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOCC(C)(F)F)c(C)/c1=C/CCC(CCC)CCC
InChIInChI=1S/C24H37F2NO2/c1-6-9-20(10-7-2)11-8-12-21-18(3)13-14-22(19(21)4)23(28)27-15-16-29-17-24(5,25)26/h12-14,20H,3,6-11,15-17H2,1-2,4-5H3,(H,27,28)/b21-12+
InChIKeyRULQYTSNWNXCRD-CIAFOILYSA-N
MW409.56 g/mol
LogP4.58
Rot. Bonds13

About (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide

(3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747655) has the molecular formula C24H37F2NO2 and a molecular weight of 409.56 g/mol. Its IUPAC name is (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747655
Molecular FormulaC24H37F2NO2
Molecular Weight409.56 g/mol
Exact Mass409.28
IUPAC Name(3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOCC(C)(F)F)c(C)/c1=C/CCC(CCC)CCC
InChIInChI=1S/C24H37F2NO2/c1-6-9-20(10-7-2)11-8-12-21-18(3)13-14-22(19(21)4)23(28)27-15-16-29-17-24(5,25)26/h12-14,20H,3,6-11,15-17H2,1-2,4-5H3,(H,27,28)/b21-12+
InChIKeyRULQYTSNWNXCRD-CIAFOILYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-7-(2-piperidin-4-ylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydronaphthalene-2-carboxamide
CID 123290315
2-(cyclooct-4-en-1-ylmethyl)-3,9-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123470707
2-(cyclohex-3-en-1-ylmethyl)-N-[2-(1,1-difluoropropoxy)ethyl]-6-methylisoquinoline-7-carboxamide
CID 123863199
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747277
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747390
(3Z)-N-[2-(2-fluoroethoxy)ethyl]-4-imino-2-methyl-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747338
(3E)-N-[2-(2-fluoroethoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747355
(3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747665
(3Z)-N-[2-(2,2-difluoropropoxy)ethyl]-4-imino-2-methyl-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747779
(3E)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 145584565
(4aE,10E)-N-[2-(cyclopropylmethoxy)ethyl]-4-ethenyl-7-(4-ethyloctyl)-8-methyl-6,7,8,9-tetrahydrobenzo[8]annulene-3-carboxamide
CID 123508541
(2E,4E,6E,8E)-N-(2-methoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 126707960

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide (CID 144747655) is (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCCOCC(C)(F)F)c(C)/c1=C/CCC(CCC)CCC.
What is the InChIKey of (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is RULQYTSNWNXCRD-CIAFOILYSA-N. The full InChI is InChI=1S/C24H37F2NO2/c1-6-9-20(10-7-2)11-8-12-21-18(3)13-14-22(19(21)4)23(28)27-15-16-29-17-24(5,25)26/h12-14,20H,3,6-11,15-17H2,1-2,4-5H3,(H,27,28)/b21-12+.
What are the key properties of (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide?
(3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 4.58, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).