(E)-N,3-dimethyl-5-phenylpent-2-enamide

C13H17NO — CID 10910613

IUPAC(E)-N,3-dimethyl-5-phenylpent-2-enamide
SMILESCNC(=O)/C=C(\C)CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(10-13(15)14-2)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15)/b11-10+
InChIKeyHNHKVFSRAWPJTO-ZHACJKMWSA-N
MW203.28 g/mol
LogP2.31
Rot. Bonds4

About (E)-N,3-dimethyl-5-phenylpent-2-enamide

(E)-N,3-dimethyl-5-phenylpent-2-enamide (PubChem CID 10910613) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-N,3-dimethyl-5-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N,3-dimethyl-5-phenylpent-2-enamide
PubChem CID10910613
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-N,3-dimethyl-5-phenylpent-2-enamide
SMILESCNC(=O)/C=C(\C)CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(10-13(15)14-2)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15)/b11-10+
InChIKeyHNHKVFSRAWPJTO-ZHACJKMWSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,3-dimethyl-5-phenylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylethyl)acetamide
CID 70143
trans-Cinnamamide
CID 5273472
N-Phenethyl-3-phenyl-acrylamide
CID 795855
Brn 2646116
CID 5281870
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
Cinnamamide, N-methyl-m-(trifluoromethyl)-
CID 1527154
N-(2-Phenylethyl)propanamide
CID 94894
N-methyl-3-phenylpropanamide
CID 3434746
N-(2-Phenylethyl)-isobutyramide
CID 290550
n-Methylcinnamamide
CID 6039989
N,N-Diethylcinnamamide
CID 817779
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692

Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-5-phenylpent-2-enamide?
The IUPAC name of (E)-N,3-dimethyl-5-phenylpent-2-enamide (CID 10910613) is (E)-N,3-dimethyl-5-phenylpent-2-enamide.
What is the SMILES notation for (E)-N,3-dimethyl-5-phenylpent-2-enamide?
The canonical SMILES for (E)-N,3-dimethyl-5-phenylpent-2-enamide is CNC(=O)/C=C(\C)CCc1ccccc1.
What is the InChIKey of (E)-N,3-dimethyl-5-phenylpent-2-enamide?
The InChIKey is HNHKVFSRAWPJTO-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H17NO/c1-11(10-13(15)14-2)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15)/b11-10+.
What are the key properties of (E)-N,3-dimethyl-5-phenylpent-2-enamide?
(E)-N,3-dimethyl-5-phenylpent-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-5-phenylpent-2-enamide is sourced from PubChem (CID 10910613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).