(E)-N,N-diethyl-4-phenylpent-2-enamide

C15H21NO — CID 12032852

IUPAC(E)-N,N-diethyl-4-phenylpent-2-enamide
SMILESCCN(CC)C(=O)/C=C/C(C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-4-16(5-2)15(17)12-11-13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3/b12-11+
InChIKeyQKZQIXJDRYHIAP-VAWYXSNFSA-N
MW231.34 g/mol
LogP3.21
Rot. Bonds5

About (E)-N,N-diethyl-4-phenylpent-2-enamide

(E)-N,N-diethyl-4-phenylpent-2-enamide (PubChem CID 12032852) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-N,N-diethyl-4-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-4-phenylpent-2-enamide
PubChem CID12032852
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-N,N-diethyl-4-phenylpent-2-enamide
SMILESCCN(CC)C(=O)/C=C/C(C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-4-16(5-2)15(17)12-11-13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3/b12-11+
InChIKeyQKZQIXJDRYHIAP-VAWYXSNFSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,N-diethyl-4-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

1-bromo-5-phenylhex-3-en-2-one
CID 164769432
ethyl (Z)-2-(diethylamino)-4,4-diphenylbut-2-enoate;hydrochloride
CID 175493317
(E)-4-chloro-N,N-diethylpent-2-enamide
CID 18799937
phenyl (Z)-4-(diethylamino)-4-oxobut-2-enoate
CID 139635825
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
CID 134922582
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
5-chloropent-3-en-2-ylbenzene
CID 71345200
[(3E,7Z)-deca-3,7-dien-2-yl]benzene
CID 123551652
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
ethyl 5-phenylhex-3-enoate
CID 71407022
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-4-phenylpent-2-enamide?
The IUPAC name of (E)-N,N-diethyl-4-phenylpent-2-enamide (CID 12032852) is (E)-N,N-diethyl-4-phenylpent-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-4-phenylpent-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-4-phenylpent-2-enamide is CCN(CC)C(=O)/C=C/C(C)c1ccccc1.
What is the InChIKey of (E)-N,N-diethyl-4-phenylpent-2-enamide?
The InChIKey is QKZQIXJDRYHIAP-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-16(5-2)15(17)12-11-13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3/b12-11+.
What are the key properties of (E)-N,N-diethyl-4-phenylpent-2-enamide?
(E)-N,N-diethyl-4-phenylpent-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-4-phenylpent-2-enamide is sourced from PubChem (CID 12032852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).