N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide

C16H16N2O2 — CID 57096275

IUPACN-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide
SMILESCN(C(=O)C=Cc1ccccc1)C(=O)Cn1cccc1
InChIInChI=1S/C16H16N2O2/c1-17(16(20)13-18-11-5-6-12-18)15(19)10-9-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyYOPAMYDLLHKEPS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.19
Rot. Bonds4

About N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide

N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide (PubChem CID 57096275) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide
PubChem CID57096275
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide
SMILESCN(C(=O)C=Cc1ccccc1)C(=O)Cn1cccc1
InChIInChI=1S/C16H16N2O2/c1-17(16(20)13-18-11-5-6-12-18)15(19)10-9-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyYOPAMYDLLHKEPS-UHFFFAOYSA-N
XLogP2.19
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)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-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide
CID 118026213
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
(E)-N-ethenyl-N,3-diphenylprop-2-enamide
CID 10377378
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid
CID 54019383
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
CID 107735974

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide?
The IUPAC name of N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide (CID 57096275) is N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide.
What is the SMILES notation for N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide?
The canonical SMILES for N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide is CN(C(=O)C=Cc1ccccc1)C(=O)Cn1cccc1.
What is the InChIKey of N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide?
The InChIKey is YOPAMYDLLHKEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17(16(20)13-18-11-5-6-12-18)15(19)10-9-14-7-3-2-4-8-14/h2-12H,13H2,1H3.
What are the key properties of N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide?
N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide is sourced from PubChem (CID 57096275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).