2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide

C17H18N2O2 — CID 17296369

IUPAC2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)/C=C/c2ccc[nH]2)c1
InChIInChI=1S/C17H18N2O2/c1-12(2)17(21)19-15-6-3-5-13(11-15)16(20)9-8-14-7-4-10-18-14/h3-12,18H,1-2H3,(H,19,21)/b9-8+
InChIKeyTYNORUCVXSXOJH-CMDGGOBGSA-N
MW282.34 g/mol
LogP3.51
Rot. Bonds5

About 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide

2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide (PubChem CID 17296369) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide
PubChem CID17296369
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)/C=C/c2ccc[nH]2)c1
InChIInChI=1S/C17H18N2O2/c1-12(2)17(21)19-15-6-3-5-13(11-15)16(20)9-8-14-7-4-10-18-14/h3-12,18H,1-2H3,(H,19,21)/b9-8+
InChIKeyTYNORUCVXSXOJH-CMDGGOBGSA-N
XLogP3.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide 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-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
(E)-1-(10H-phenothiazin-2-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 19544559
(E)-1-(4-bromophenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 19541396
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507
N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide
CID 9185870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide (CID 17296369) is 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide is CC(C)C(=O)Nc1cccc(C(=O)/C=C/c2ccc[nH]2)c1.
What is the InChIKey of 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide?
The InChIKey is TYNORUCVXSXOJH-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(2)17(21)19-15-6-3-5-13(11-15)16(20)9-8-14-7-4-10-18-14/h3-12,18H,1-2H3,(H,19,21)/b9-8+.
What are the key properties of 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide?
2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]propanamide is sourced from PubChem (CID 17296369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).