4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide

C20H19N3O2 — CID 155366163

IUPAC4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3[nH]c(/C=C/C=O)cc3c2)cc1
InChIInChI=1S/C20H19N3O2/c1-23(2)18-8-5-14(6-9-18)20(25)22-17-7-10-19-15(13-17)12-16(21-19)4-3-11-24/h3-13,21H,1-2H3,(H,22,25)/b4-3+
InChIKeyFUVAIRQSXCEBPR-ONEGZZNKSA-N
MW333.39 g/mol
LogP3.70
Rot. Bonds5

About 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide

4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide (PubChem CID 155366163) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide
PubChem CID155366163
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3[nH]c(/C=C/C=O)cc3c2)cc1
InChIInChI=1S/C20H19N3O2/c1-23(2)18-8-5-14(6-9-18)20(25)22-17-7-10-19-15(13-17)12-16(21-19)4-3-11-24/h3-13,21H,1-2H3,(H,22,25)/b4-3+
InChIKeyFUVAIRQSXCEBPR-ONEGZZNKSA-N
XLogP3.70
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
CID 84582445
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
(E)-3-(5-acetamido-1H-indol-2-yl)prop-2-enoic acid
CID 10752794
N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide
CID 123507745
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
4-(dimethylamino)-N-(3-hydroxyphenyl)benzamide
CID 28739881
4-(dimethylamino)-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110743956

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide (CID 155366163) is 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide is CN(C)c1ccc(C(=O)Nc2ccc3[nH]c(/C=C/C=O)cc3c2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide?
The InChIKey is FUVAIRQSXCEBPR-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(2)18-8-5-14(6-9-18)20(25)22-17-7-10-19-15(13-17)12-16(21-19)4-3-11-24/h3-13,21H,1-2H3,(H,22,25)/b4-3+.
What are the key properties of 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide?
4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 155366163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).