(2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide

C18H19NO2 — CID 163853601

IUPAC(2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide
SMILESO=C(C/C(=C\C1=CC=CC1)C(=O)NC1CCC1)C1=CC=C1
InChIInChI=1S/C18H19NO2/c20-17(14-7-3-8-14)12-15(11-13-5-1-2-6-13)18(21)19-16-9-4-10-16/h1-3,5,7-8,11,16H,4,6,9-10,12H2,(H,19,21)/b15-11+
InChIKeyOWLFCBPQTCUHNI-RVDMUPIBSA-N
MW281.36 g/mol
LogP2.92
Rot. Bonds6

About (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide

(2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide (PubChem CID 163853601) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide.

Molecular Properties

Compound Name(2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide
PubChem CID163853601
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide
SMILESO=C(C/C(=C\C1=CC=CC1)C(=O)NC1CCC1)C1=CC=C1
InChIInChI=1S/C18H19NO2/c20-17(14-7-3-8-14)12-15(11-13-5-1-2-6-13)18(21)19-16-9-4-10-16/h1-3,5,7-8,11,16H,4,6,9-10,12H2,(H,19,21)/b15-11+
InChIKeyOWLFCBPQTCUHNI-RVDMUPIBSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 54195242
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(2R)-N-cyclobutyl-2-methylbutanamide
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N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide
CID 177243814
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
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4-butoxy-N-cyclobutylbenzamide
CID 71449411
hexyl 2-(cyclopentylamino)-2-oxoacetate
CID 6421015
N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
CID 82121266
2-cyano-N-cyclohexyl-3-(4-ethoxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 76879755
N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide
CID 170059665
(E)-N-cyclopentyl-2-methylbut-2-enamide
CID 89351716

Frequently Asked Questions

What is the IUPAC name of (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide?
The IUPAC name of (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide (CID 163853601) is (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide.
What is the SMILES notation for (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide?
The canonical SMILES for (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide is O=C(C/C(=C\C1=CC=CC1)C(=O)NC1CCC1)C1=CC=C1.
What is the InChIKey of (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide?
The InChIKey is OWLFCBPQTCUHNI-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H19NO2/c20-17(14-7-3-8-14)12-15(11-13-5-1-2-6-13)18(21)19-16-9-4-10-16/h1-3,5,7-8,11,16H,4,6,9-10,12H2,(H,19,21)/b15-11+.
What are the key properties of (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide?
(2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide has a molecular weight of 281.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide is sourced from PubChem (CID 163853601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).