(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide

C14H19NO — CID 142547817

IUPAC(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
SMILESC/C=C(\C)C(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H19NO/c1-5-11(4)14(16)15-13-8-6-7-12(9-13)10(2)3/h5-10H,1-4H3,(H,15,16)/b11-5+
InChIKeyISRMUKYCXDQBDH-VZUCSPMQSA-N
MW217.31 g/mol
LogP3.71
Rot. Bonds3

About (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide

(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide (PubChem CID 142547817) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
PubChem CID142547817
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
SMILESC/C=C(\C)C(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H19NO/c1-5-11(4)14(16)15-13-8-6-7-12(9-13)10(2)3/h5-10H,1-4H3,(H,15,16)/b11-5+
InChIKeyISRMUKYCXDQBDH-VZUCSPMQSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.71
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

1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
2,2-dimethyl-3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 82821169
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide
CID 111629836
5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 42236342
dimethyl (E)-2-(3-propan-2-ylanilino)but-2-enedioate
CID 168566808

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide?
The IUPAC name of (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide (CID 142547817) is (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide?
The canonical SMILES for (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide is C/C=C(\C)C(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide?
The InChIKey is ISRMUKYCXDQBDH-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-11(4)14(16)15-13-8-6-7-12(9-13)10(2)3/h5-10H,1-4H3,(H,15,16)/b11-5+.
What are the key properties of (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide?
(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide is sourced from PubChem (CID 142547817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).