4-(2-methylpropoxy)benzene-1,3-dicarboxamide

C12H16N2O3 — CID 162371646

IUPAC4-(2-methylpropoxy)benzene-1,3-dicarboxamide
SMILESCC(C)COc1ccc(C(N)=O)cc1C(N)=O
InChIInChI=1S/C12H16N2O3/c1-7(2)6-17-10-4-3-8(11(13)15)5-9(10)12(14)16/h3-5,7H,6H2,1-2H3,(H2,13,15)(H2,14,16)
InChIKeyMRIIYZQVEYGQBL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.92
Rot. Bonds5

About 4-(2-methylpropoxy)benzene-1,3-dicarboxamide

4-(2-methylpropoxy)benzene-1,3-dicarboxamide (PubChem CID 162371646) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-methylpropoxy)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)benzene-1,3-dicarboxamide
PubChem CID162371646
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(2-methylpropoxy)benzene-1,3-dicarboxamide
SMILESCC(C)COc1ccc(C(N)=O)cc1C(N)=O
InChIInChI=1S/C12H16N2O3/c1-7(2)6-17-10-4-3-8(11(13)15)5-9(10)12(14)16/h3-5,7H,6H2,1-2H3,(H2,13,15)(H2,14,16)
InChIKeyMRIIYZQVEYGQBL-UHFFFAOYSA-N
XLogP0.92
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylpropoxy)benzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-4-(2-methylpropoxy)benzoic acid
CID 97033854
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
5-methyl-2-(2-methylpropoxy)benzenecarbothioamide
CID 107929464
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
5-bromo-N-[(4-carbamoylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051104
4-(2-hydroxypropoxy)benzene-1,3-dicarboxylic acid
CID 139699918
1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one
CID 91657177
3-(carbamothioylamino)-4-(2-methylpropoxy)benzoic acid
CID 169357649
5-amino-2-(2-methylpentoxy)benzamide
CID 103284499
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535405
CID 71464784
CID 71464784

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)benzene-1,3-dicarboxamide?
The IUPAC name of 4-(2-methylpropoxy)benzene-1,3-dicarboxamide (CID 162371646) is 4-(2-methylpropoxy)benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-(2-methylpropoxy)benzene-1,3-dicarboxamide?
The canonical SMILES for 4-(2-methylpropoxy)benzene-1,3-dicarboxamide is CC(C)COc1ccc(C(N)=O)cc1C(N)=O.
What is the InChIKey of 4-(2-methylpropoxy)benzene-1,3-dicarboxamide?
The InChIKey is MRIIYZQVEYGQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)6-17-10-4-3-8(11(13)15)5-9(10)12(14)16/h3-5,7H,6H2,1-2H3,(H2,13,15)(H2,14,16).
What are the key properties of 4-(2-methylpropoxy)benzene-1,3-dicarboxamide?
4-(2-methylpropoxy)benzene-1,3-dicarboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)benzene-1,3-dicarboxamide is sourced from PubChem (CID 162371646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).