(3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide

C23H37NO2 — CID 144747505

IUPAC(3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOCC)c(C)/c1=C/CCC(CCC)CCC
InChIInChI=1S/C23H37NO2/c1-6-10-20(11-7-2)12-9-13-21-18(4)14-15-22(19(21)5)23(25)24-16-17-26-8-3/h13-15,20H,4,6-12,16-17H2,1-3,5H3,(H,24,25)/b21-13+
InChIKeyKINCIZOPACBBDQ-FYJGNVAPSA-N
MW359.55 g/mol
LogP3.95
Rot. Bonds12

About (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide

(3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747505) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747505
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name(3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOCC)c(C)/c1=C/CCC(CCC)CCC
InChIInChI=1S/C23H37NO2/c1-6-10-20(11-7-2)12-9-13-21-18(4)14-15-22(19(21)5)23(25)24-16-17-26-8-3/h13-15,20H,4,6-12,16-17H2,1-3,5H3,(H,24,25)/b21-13+
InChIKeyKINCIZOPACBBDQ-FYJGNVAPSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 53.95
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

ethyl 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]acetate
CID 13942195
(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)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747655
(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide
CID 11436615
(2E,4E,6E,8E)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 59841679
N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 72576128
N-(2-methoxyethyl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 89337160
propyl 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]acetate
CID 89529736
(2E,4E,6E,8E)-N-[3-[2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 89667687
N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide
CID 123324024
N-[2-(cyclopropylmethoxy)ethyl]-3-ethylidene-2-methyl-4-(3-methyl-6-piperidin-4-ylhex-4-enylidene)cyclohexa-1,5-diene-1-carboxamide
CID 123358193

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide (CID 144747505) is (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCCOCC)c(C)/c1=C/CCC(CCC)CCC.
What is the InChIKey of (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is KINCIZOPACBBDQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C23H37NO2/c1-6-10-20(11-7-2)12-9-13-21-18(4)14-15-22(19(21)5)23(25)24-16-17-26-8-3/h13-15,20H,4,6-12,16-17H2,1-3,5H3,(H,24,25)/b21-13+.
What are the key properties of (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide?
(3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 359.55 g/mol, XLogP of 3.95, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).