N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide

C15H22N2O3 — CID 108538118

IUPACN-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14(19)17-10-9-16-13(18)11-7-5-6-8-12(11)20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyKJQWSLNIJQOEQC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide

N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide (PubChem CID 108538118) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
PubChem CID108538118
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14(19)17-10-9-16-13(18)11-7-5-6-8-12(11)20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyKJQWSLNIJQOEQC-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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

2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide (CID 108538118) is N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide?
The InChIKey is KJQWSLNIJQOEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)14(19)17-10-9-16-13(18)11-7-5-6-8-12(11)20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide?
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108538118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).