3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide

C14H20N2O3 — CID 110764209

IUPAC3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)C)cc1NC(C)=O
InChIInChI=1S/C14H20N2O3/c1-9(2)8-15-14(18)11-5-6-13(19-4)12(7-11)16-10(3)17/h5-7,9H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyDETBJBJAXZUQTR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.04
Rot. Bonds5

About 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide

3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 110764209) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
PubChem CID110764209
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)C)cc1NC(C)=O
InChIInChI=1S/C14H20N2O3/c1-9(2)8-15-14(18)11-5-6-13(19-4)12(7-11)16-10(3)17/h5-7,9H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyDETBJBJAXZUQTR-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-methoxy-N-propylbenzamide
CID 110764204
3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110764229
3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide
CID 176508222
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 31324729
3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115674974
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313
3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 122159202

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide (CID 110764209) is 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide is COc1ccc(C(=O)NCC(C)C)cc1NC(C)=O.
What is the InChIKey of 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is DETBJBJAXZUQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)8-15-14(18)11-5-6-13(19-4)12(7-11)16-10(3)17/h5-7,9H,8H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide?
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 110764209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).