(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide

C23H35NO2 — CID 144747487

IUPAC(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide
SMILESCC/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)cc/c1=C\CC(C)C
InChIInChI=1S/C23H35NO2/c1-6-7-21-18(5)22(13-12-20(21)11-8-16(2)3)23(25)24-14-17(4)26-15-19-9-10-19/h7,11-13,16-17,19H,6,8-10,14-15H2,1-5H3,(H,24,25)/b20-11+,21-7-
InChIKeyXTLCFVBGPQJRON-IQTODPTGSA-N
MW357.54 g/mol
LogP3.56
Rot. Bonds9

About (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide

(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747487) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide
PubChem CID144747487
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide
SMILESCC/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)cc/c1=C\CC(C)C
InChIInChI=1S/C23H35NO2/c1-6-7-21-18(5)22(13-12-20(21)11-8-16(2)3)23(25)24-14-17(4)26-15-19-9-10-19/h7,11-13,16-17,19H,6,8-10,14-15H2,1-5H3,(H,24,25)/b20-11+,21-7-
InChIKeyXTLCFVBGPQJRON-IQTODPTGSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
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
6-(2-cycloheptylethyl)-N-[2-(cyclopropylmethoxy)ethyl]-4,7-dimethyl-7,8-dihydro-6H-benzo[7]annulene-3-carboxamide
CID 123907039
(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188616
(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane
CID 144747344
(3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747389
(3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747500
(3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747547
(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747579
ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144763012

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide (CID 144747487) is (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide is CC/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)cc/c1=C\CC(C)C.
What is the InChIKey of (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide?
The InChIKey is XTLCFVBGPQJRON-IQTODPTGSA-N. The full InChI is InChI=1S/C23H35NO2/c1-6-7-21-18(5)22(13-12-20(21)11-8-16(2)3)23(25)24-14-17(4)26-15-19-9-10-19/h7,11-13,16-17,19H,6,8-10,14-15H2,1-5H3,(H,24,25)/b20-11+,21-7-.
What are the key properties of (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide?
(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide has a molecular weight of 357.54 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-(3-methylbutylidene)-3-propylidenecyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).