4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide

C15H22N2O3 — CID 17218245

IUPAC4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14(19)17-12-7-5-11(6-8-12)13(18)16-9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyMOKLUKDQEWLCRY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.05
Rot. Bonds5

About 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide

4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide (PubChem CID 17218245) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
PubChem CID17218245
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14(19)17-12-7-5-11(6-8-12)13(18)16-9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyMOKLUKDQEWLCRY-UHFFFAOYSA-N
XLogP2.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835985
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
CID 70934716
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide (CID 17218245) is 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide?
The InChIKey is MOKLUKDQEWLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)14(19)17-12-7-5-11(6-8-12)13(18)16-9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide?
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17218245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).