N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide

C19H20N2O — CID 171569290

IUPACN-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide
SMILESC=CCc1c(C(=O)/N=C/N(C)C)cccc1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-4-9-17-16(15-10-6-5-7-11-15)12-8-13-18(17)19(22)20-14-21(2)3/h4-8,10-14H,1,9H2,2-3H3/b20-14+
InChIKeyKASRATDGPGTCIT-XSFVSMFZSA-N
MW292.38 g/mol
LogP3.81
Rot. Bonds5

About N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide

N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide (PubChem CID 171569290) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide
PubChem CID171569290
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide
SMILESC=CCc1c(C(=O)/N=C/N(C)C)cccc1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-4-9-17-16(15-10-6-5-7-11-15)12-8-13-18(17)19(22)20-14-21(2)3/h4-8,10-14H,1,9H2,2-3H3/b20-14+
InChIKeyKASRATDGPGTCIT-XSFVSMFZSA-N
XLogP3.81
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(dimethylaminomethylidene)azulene-2-carboxamide
CID 141302363
formic acid;1-phenyl-2-prop-2-enylbenzene
CID 174921582
N-(dimethylaminomethylidene)benzamide;ethane
CID 90754594
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
1-(2-phenylphenyl)hex-5-en-1-one
CID 69047929
3,4-bis(prop-2-enyl)phthalic acid;phthalic acid
CID 175060882
2-prop-2-enylbenzoic acid
CID 2752991
bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
CID 151132531
2-prop-2-enylbenzene-1,3-dicarboxamide
CID 67682969
1-phenyl-2-prop-2-enylbenzene;stilbene
CID 173298564
4-phenyl-3-prop-2-enyl-1H-pyridin-2-one
CID 102271790
2-(2,6-diphenylphenyl)acetic acid
CID 69422987

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide?
The IUPAC name of N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide (CID 171569290) is N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide?
The canonical SMILES for N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide is C=CCc1c(C(=O)/N=C/N(C)C)cccc1-c1ccccc1.
What is the InChIKey of N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide?
The InChIKey is KASRATDGPGTCIT-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H20N2O/c1-4-9-17-16(15-10-6-5-7-11-15)12-8-13-18(17)19(22)20-14-21(2)3/h4-8,10-14H,1,9H2,2-3H3/b20-14+.
What are the key properties of N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide?
N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-3-phenyl-2-prop-2-enylbenzamide is sourced from PubChem (CID 171569290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).