3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide

C14H20N2O2 — CID 143675464

IUPAC3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C=O)C(C)(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)12(9-17)16-11-7-5-6-10(8-11)13(18)15-4/h5-9,12,16H,1-4H3,(H,15,18)
InChIKeyQFLJJOLVFDBONB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.07
Rot. Bonds4

About 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide

3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide (PubChem CID 143675464) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide
PubChem CID143675464
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C=O)C(C)(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)12(9-17)16-11-7-5-6-10(8-11)13(18)15-4/h5-9,12,16H,1-4H3,(H,15,18)
InChIKeyQFLJJOLVFDBONB-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate
CID 103387419
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629
3-(heptan-3-ylamino)-N-methylbenzamide
CID 63944894
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
CID 47120773
N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 51080300
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-methylbenzamide
CID 63678627
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580711

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide?
The IUPAC name of 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide (CID 143675464) is 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C=O)C(C)(C)C)c1.
What is the InChIKey of 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide?
The InChIKey is QFLJJOLVFDBONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)12(9-17)16-11-7-5-6-10(8-11)13(18)15-4/h5-9,12,16H,1-4H3,(H,15,18).
What are the key properties of 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide?
3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 143675464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).