N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide

C17H18N2O — CID 44630282

IUPACN-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESC=C(C(=O)N(CC)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-3-19(13-15-9-11-18-12-10-15)17(20)14(2)16-7-5-4-6-8-16/h4-12H,2-3,13H2,1H3
InChIKeyLOVSQYAVWGMIRV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.14
Rot. Bonds5

About N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide

N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide (PubChem CID 44630282) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
PubChem CID44630282
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESC=C(C(=O)N(CC)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-3-19(13-15-9-11-18-12-10-15)17(20)14(2)16-7-5-4-6-8-16/h4-12H,2-3,13H2,1H3
InChIKeyLOVSQYAVWGMIRV-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-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-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
CID 10125724
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 46995859
N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide
CID 102170630
N-ethyl-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-2-carboxamide
CID 75795774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide (CID 44630282) is N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide is C=C(C(=O)N(CC)Cc1ccncc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide?
The InChIKey is LOVSQYAVWGMIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-19(13-15-9-11-18-12-10-15)17(20)14(2)16-7-5-4-6-8-16/h4-12H,2-3,13H2,1H3.
What are the key properties of N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide?
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide has a molecular weight of 266.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 44630282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).