(2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide

C19H24BrNO — CID 19769990

IUPAC(2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
SMILESCC(C)C(C)NC(=O)/C=C/C=C/C1CC1c1ccc(Br)cc1
InChIInChI=1S/C19H24BrNO/c1-13(2)14(3)21-19(22)7-5-4-6-16-12-18(16)15-8-10-17(20)11-9-15/h4-11,13-14,16,18H,12H2,1-3H3,(H,21,22)/b6-4+,7-5+
InChIKeyKTQBRBDFCSBURH-YDFGWWAZSA-N
MW362.31 g/mol
LogP4.83
Rot. Bonds6

About (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide

(2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide (PubChem CID 19769990) has the molecular formula C19H24BrNO and a molecular weight of 362.31 g/mol. Its IUPAC name is (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
PubChem CID19769990
Molecular FormulaC19H24BrNO
Molecular Weight362.31 g/mol
Exact Mass361.10
IUPAC Name(2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
SMILESCC(C)C(C)NC(=O)/C=C/C=C/C1CC1c1ccc(Br)cc1
InChIInChI=1S/C19H24BrNO/c1-13(2)14(3)21-19(22)7-5-4-6-16-12-18(16)15-8-10-17(20)11-9-15/h4-11,13-14,16,18H,12H2,1-3H3,(H,21,22)/b6-4+,7-5+
InChIKeyKTQBRBDFCSBURH-YDFGWWAZSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide (CID 19769990) is (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide is CC(C)C(C)NC(=O)/C=C/C=C/C1CC1c1ccc(Br)cc1.
What is the InChIKey of (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
The InChIKey is KTQBRBDFCSBURH-YDFGWWAZSA-N. The full InChI is InChI=1S/C19H24BrNO/c1-13(2)14(3)21-19(22)7-5-4-6-16-12-18(16)15-8-10-17(20)11-9-15/h4-11,13-14,16,18H,12H2,1-3H3,(H,21,22)/b6-4+,7-5+.
What are the key properties of (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
(2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide has a molecular weight of 362.31 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[2-(4-bromophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide is sourced from PubChem (CID 19769990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).