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

C22H33NO2 — CID 144747658

IUPAC(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide
SMILESC/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)cc/c1=C\CC(C)C
InChIInChI=1S/C22H33NO2/c1-6-20-17(5)21(12-11-19(20)10-7-15(2)3)22(24)23-13-16(4)25-14-18-8-9-18/h6,10-12,15-16,18H,7-9,13-14H2,1-5H3,(H,23,24)/b19-10+,20-6-
InChIKeyLXCPFWTWABTVBS-OFIVMWHASA-N
MW343.51 g/mol
LogP3.17
Rot. Bonds8

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

(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747658) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747658
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide
SMILESC/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)cc/c1=C\CC(C)C
InChIInChI=1S/C22H33NO2/c1-6-20-17(5)21(12-11-19(20)10-7-15(2)3)22(24)23-13-16(4)25-14-18-8-9-18/h6,10-12,15-16,18H,7-9,13-14H2,1-5H3,(H,23,24)/b19-10+,20-6-
InChIKeyLXCPFWTWABTVBS-OFIVMWHASA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.17
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]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide (CID 144747658) is (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide is C/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]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is LXCPFWTWABTVBS-OFIVMWHASA-N. The full InChI is InChI=1S/C22H33NO2/c1-6-20-17(5)21(12-11-19(20)10-7-15(2)3)22(24)23-13-16(4)25-14-18-8-9-18/h6,10-12,15-16,18H,7-9,13-14H2,1-5H3,(H,23,24)/b19-10+,20-6-.
What are the key properties of (3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide?
(3E,4E)-N-[2-(cyclopropylmethoxy)propyl]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 343.51 g/mol, XLogP of 3.17, 8 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]-3-ethylidene-2-methyl-4-(3-methylbutylidene)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).