N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide

C15H22N2O2 — CID 108951456

IUPACN'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C15H22N2O2/c1-10-7-6-8-12(11(10)2)16-13(18)9-14(19)17-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyHWTWFDFFAVNPHC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.55
Rot. Bonds3

About N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide

N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide (PubChem CID 108951456) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
PubChem CID108951456
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C15H22N2O2/c1-10-7-6-8-12(11(10)2)16-13(18)9-14(19)17-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyHWTWFDFFAVNPHC-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
CID 108951471
[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8795974
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9131013
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54844261
N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide?
The IUPAC name of N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide (CID 108951456) is N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide.
What is the SMILES notation for N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide?
The canonical SMILES for N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide is Cc1cccc(NC(=O)CC(=O)NC(C)(C)C)c1C.
What is the InChIKey of N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide?
The InChIKey is HWTWFDFFAVNPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-7-6-8-12(11(10)2)16-13(18)9-14(19)17-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide?
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide has a molecular weight of 262.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide is sourced from PubChem (CID 108951456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).