(E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide

C15H21NO — CID 101271751

IUPAC(E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide
SMILESCc1ccc(NC(=O)/C=C/C(C)(C)C)c(C)c1
InChIInChI=1S/C15H21NO/c1-11-6-7-13(12(2)10-11)16-14(17)8-9-15(3,4)5/h6-10H,1-5H3,(H,16,17)/b9-8+
InChIKeyPILFASGYLSQCIB-CMDGGOBGSA-N
MW231.34 g/mol
LogP3.84
Rot. Bonds2

About (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide

(E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide (PubChem CID 101271751) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide
PubChem CID101271751
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide
SMILESCc1ccc(NC(=O)/C=C/C(C)(C)C)c(C)c1
InChIInChI=1S/C15H21NO/c1-11-6-7-13(12(2)10-11)16-14(17)8-9-15(3,4)5/h6-10H,1-5H3,(H,16,17)/b9-8+
InChIKeyPILFASGYLSQCIB-CMDGGOBGSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide
CID 86134695
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244061
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
(E)-N-(2,4-dimethylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667814
(E)-3-(2-chloro-6-fluorophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 6138272
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide (CID 101271751) is (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide is Cc1ccc(NC(=O)/C=C/C(C)(C)C)c(C)c1.
What is the InChIKey of (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide?
The InChIKey is PILFASGYLSQCIB-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-7-13(12(2)10-11)16-14(17)8-9-15(3,4)5/h6-10H,1-5H3,(H,16,17)/b9-8+.
What are the key properties of (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide?
(E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 101271751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).