4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide

C27H29NO — CID 123879848

IUPAC4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESC=CC=C(C(=C)N(C)C(=O)c1ccc(-c2cccc(=C)c2=C)c(=C)c1=C)C(C)C
InChIInChI=1S/C27H29NO/c1-10-12-23(17(2)3)22(8)28(9)27(29)26-16-15-25(20(6)21(26)7)24-14-11-13-18(4)19(24)5/h10-17H,1,4-8H2,2-3,9H3
InChIKeyKSVWSGDZAHVWSJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.35
Rot. Bonds6

About 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide

4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 123879848) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID123879848
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESC=CC=C(C(=C)N(C)C(=O)c1ccc(-c2cccc(=C)c2=C)c(=C)c1=C)C(C)C
InChIInChI=1S/C27H29NO/c1-10-12-23(17(2)3)22(8)28(9)27(29)26-16-15-25(20(6)21(26)7)24-14-11-13-18(4)19(24)5/h10-17H,1,4-8H2,2-3,9H3
InChIKeyKSVWSGDZAHVWSJ-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide (CID 123879848) is 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide is C=CC=C(C(=C)N(C)C(=O)c1ccc(-c2cccc(=C)c2=C)c(=C)c1=C)C(C)C.
What is the InChIKey of 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is KSVWSGDZAHVWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-10-12-23(17(2)3)22(8)28(9)27(29)26-16-15-25(20(6)21(26)7)24-14-11-13-18(4)19(24)5/h10-17H,1,4-8H2,2-3,9H3.
What are the key properties of 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide?
4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-N-methyl-5,6-dimethylidene-N-(3-propan-2-ylhexa-1,3,5-trien-2-yl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 123879848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).