(Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide

C18H21N3O2 — CID 174165529

IUPAC(Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide
SMILESC/C(=C/c1[nH]c(C)c(NC=O)c1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H21N3O2/c1-11-5-7-15(8-6-11)21-18(23)12(2)9-16-13(3)17(19-10-22)14(4)20-16/h5-10,20H,1-4H3,(H,19,22)(H,21,23)/b12-9-
InChIKeyRBLSEHKRZYPYLC-XFXZXTDPSA-N
MW311.39 g/mol
LogP3.55
Rot. Bonds5

About (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide

(Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide (PubChem CID 174165529) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide
PubChem CID174165529
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide
SMILESC/C(=C/c1[nH]c(C)c(NC=O)c1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H21N3O2/c1-11-5-7-15(8-6-11)21-18(23)12(2)9-16-13(3)17(19-10-22)14(4)20-16/h5-10,20H,1-4H3,(H,19,22)(H,21,23)/b12-9-
InChIKeyRBLSEHKRZYPYLC-XFXZXTDPSA-N
XLogP3.55
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide with MolForge

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Related Compounds

2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
CID 88971335
4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
CID 53349566
N-(4-methylphenyl)acetamide
CID 7684
ethane;N-(4-methylphenyl)formamide
CID 142066401
2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide
CID 7120921
N-cyano-N'-(4-methylphenyl)oxamide
CID 79195305
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-[4-(4-methylphenyl)phenyl]formamide
CID 87370886
methanamine;N-(4-methylphenyl)acetamide
CID 142152295

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide (CID 174165529) is (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide is C/C(=C/c1[nH]c(C)c(NC=O)c1C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is RBLSEHKRZYPYLC-XFXZXTDPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-5-7-15(8-6-11)21-18(23)12(2)9-16-13(3)17(19-10-22)14(4)20-16/h5-10,20H,1-4H3,(H,19,22)(H,21,23)/b12-9-.
What are the key properties of (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide?
(Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 311.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 174165529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).