(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide

C19H27NO2 — CID 144747597

IUPAC(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOCC2CC2)c(CC)/c1=C/CC
InChIInChI=1S/C19H27NO2/c1-4-6-17-14(3)7-10-18(16(17)5-2)19(21)20-11-12-22-13-15-8-9-15/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,20,21)/b17-6+
InChIKeyNGDLKIQRJSBNHY-UBKPWBPPSA-N
MW301.43 g/mol
LogP2.01
Rot. Bonds8

About (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide

(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747597) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide
PubChem CID144747597
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOCC2CC2)c(CC)/c1=C/CC
InChIInChI=1S/C19H27NO2/c1-4-6-17-14(3)7-10-18(16(17)5-2)19(21)20-11-12-22-13-15-8-9-15/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,20,21)/b17-6+
InChIKeyNGDLKIQRJSBNHY-UBKPWBPPSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.01
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

(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
(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 88991033
N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide
CID 89049356
N-(2-methoxyethyl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 89337160
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
(4aE,10E)-N-[2-(cyclopropylmethoxy)ethyl]-4-ethenyl-7-(4-ethyloctyl)-8-methyl-6,7,8,9-tetrahydrobenzo[8]annulene-3-carboxamide
CID 123508541
3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 123678431
6-(2-cycloheptylethyl)-N-[2-(cyclopropylmethoxy)ethyl]-4,7-dimethyl-7,8-dihydro-6H-benzo[7]annulene-3-carboxamide
CID 123907039
N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292933
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747346
(3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747389

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide (CID 144747597) is (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCCOCC2CC2)c(CC)/c1=C/CC.
What is the InChIKey of (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide?
The InChIKey is NGDLKIQRJSBNHY-UBKPWBPPSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-6-17-14(3)7-10-18(16(17)5-2)19(21)20-11-12-22-13-15-8-9-15/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,20,21)/b17-6+.
What are the key properties of (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide?
(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-methylidene-3-propylidenecyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).