3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide

C20H24N2O2 — CID 108573755

IUPAC3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)16-7-9-17(10-8-16)19(23)21-11-12-22-20(24)18-6-4-5-15(3)13-18/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWAPDMBYKYHUGBW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.28
Rot. Bonds6

About 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide

3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 108573755) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
PubChem CID108573755
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)16-7-9-17(10-8-16)19(23)21-11-12-22-20(24)18-6-4-5-15(3)13-18/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWAPDMBYKYHUGBW-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
CID 95904798
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
3-methyl-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 110979411
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363899

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide (CID 108573755) is 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide is Cc1cccc(C(=O)NCCNC(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is WAPDMBYKYHUGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)16-7-9-17(10-8-16)19(23)21-11-12-22-20(24)18-6-4-5-15(3)13-18/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide?
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108573755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).