3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide

C20H21NO2 — CID 91710717

IUPAC3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(C(=O)c1cccc(C)c1)C(=O)c1cccc(C)c1
InChIInChI=1S/C20H21NO2/c1-14(2)13-21(19(22)17-9-5-7-15(3)11-17)20(23)18-10-6-8-16(4)12-18/h5-12H,1,13H2,2-4H3
InChIKeyYEDQTKMQBLPEGO-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.16
Rot. Bonds4

About 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide

3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide (PubChem CID 91710717) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide
PubChem CID91710717
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(C(=O)c1cccc(C)c1)C(=O)c1cccc(C)c1
InChIInChI=1S/C20H21NO2/c1-14(2)13-21(19(22)17-9-5-7-15(3)11-17)20(23)18-10-6-8-16(4)12-18/h5-12H,1,13H2,2-4H3
InChIKeyYEDQTKMQBLPEGO-UHFFFAOYSA-N
XLogP4.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
4-methyl-1-(3-methylphenyl)pent-4-en-1-one
CID 114473491
3-[carboxymethyl-(3-methylbenzoyl)amino]propanoic acid
CID 82324641
3-methyl-N,N-bis(trideuteriomethyl)benzamide
CID 167709287
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
N,N-bis(2-cyanoethyl)-3-methylbenzamide
CID 2204619
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
3-methyl-N,N-di(undecyl)benzamide
CID 533252
bis(3-methylphenyl)methanone
CID 17848
N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide
CID 139683585
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide (CID 91710717) is 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(C(=O)c1cccc(C)c1)C(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is YEDQTKMQBLPEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14(2)13-21(19(22)17-9-5-7-15(3)11-17)20(23)18-10-6-8-16(4)12-18/h5-12H,1,13H2,2-4H3.
What are the key properties of 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide?
3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 307.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 91710717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).