(3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide

C22H34N2O2 — CID 144747500

IUPAC(3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1cc(C)c(C(=O)NCCOCC2CC2)c/c1=C/N(C)CC(C)CC
InChIInChI=1S/C22H34N2O2/c1-6-16(2)13-24(5)14-20-12-21(18(4)11-17(20)3)22(25)23-9-10-26-15-19-7-8-19/h11-12,14,16,19H,3,6-10,13,15H2,1-2,4-5H3,(H,23,25)/b20-14-
InChIKeySZMMHZWROJJHBN-ZHZULCJRSA-N
MW358.53 g/mol
LogP2.28
Rot. Bonds10

About (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide

(3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747500) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747500
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name(3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1cc(C)c(C(=O)NCCOCC2CC2)c/c1=C/N(C)CC(C)CC
InChIInChI=1S/C22H34N2O2/c1-6-16(2)13-24(5)14-20-12-21(18(4)11-17(20)3)22(25)23-9-10-26-15-19-7-8-19/h11-12,14,16,19H,3,6-10,13,15H2,1-2,4-5H3,(H,23,25)/b20-14-
InChIKeySZMMHZWROJJHBN-ZHZULCJRSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide (CID 144747500) is (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide is C=c1cc(C)c(C(=O)NCCOCC2CC2)c/c1=C/N(C)CC(C)CC.
What is the InChIKey of (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is SZMMHZWROJJHBN-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-6-16(2)13-24(5)14-20-12-21(18(4)11-17(20)3)22(25)23-9-10-26-15-19-7-8-19/h11-12,14,16,19H,3,6-10,13,15H2,1-2,4-5H3,(H,23,25)/b20-14-.
What are the key properties of (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
(3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).