2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide

C13H18N2O3 — CID 971919

IUPAC2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide
SMILESCOCC(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C13H18N2O3/c1-9(2)14-13(17)10-6-4-5-7-11(10)15-12(16)8-18-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyBAGVAFBZMDOOIV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.41
Rot. Bonds5

About 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide

2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide (PubChem CID 971919) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide
PubChem CID971919
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide
SMILESCOCC(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C13H18N2O3/c1-9(2)14-13(17)10-6-4-5-7-11(10)15-12(16)8-18-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyBAGVAFBZMDOOIV-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide (CID 971919) is 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide is COCC(=O)Nc1ccccc1C(=O)NC(C)C.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is BAGVAFBZMDOOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)14-13(17)10-6-4-5-7-11(10)15-12(16)8-18-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide?
2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 971919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).