2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid

C14H18N2O5 — CID 63112385

IUPAC2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid
SMILESCCOC(=O)CNC(=O)Nc1c(C)cc(C)cc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-4-21-11(17)7-15-14(20)16-12-9(3)5-8(2)6-10(12)13(18)19/h5-6H,4,7H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyVQBOUDAOBMTYAT-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.69
Rot. Bonds5

About 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid

2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid (PubChem CID 63112385) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid
PubChem CID63112385
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid
SMILESCCOC(=O)CNC(=O)Nc1c(C)cc(C)cc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-4-21-11(17)7-15-14(20)16-12-9(3)5-8(2)6-10(12)13(18)19/h5-6H,4,7H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyVQBOUDAOBMTYAT-UHFFFAOYSA-N
XLogP1.69
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid 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

2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112474
2-[(2-methoxy-2-methylpropyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 104763954
2-(2-bromoprop-2-enylcarbamoylamino)-3,5-dimethylbenzoic acid
CID 113465144
3,5-dibromo-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 63112343
2-[(3-amino-3-oxopropyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112521
3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 63112624
2-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzoic acid
CID 55176727
3,5-dimethyl-2-(pentan-3-ylcarbamoylamino)benzoic acid
CID 63112633
2-(1-ethoxypropan-2-ylcarbamoylamino)-3,5-dimethylbenzoic acid
CID 63112547
2-(2,2-dimethylbutanoylamino)-3,5-dimethylbenzoic acid
CID 55176919
ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
CID 103601355
2-(hex-5-ynylcarbamoylamino)-3,5-dimethylbenzoic acid
CID 106216068

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid (CID 63112385) is 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid is CCOC(=O)CNC(=O)Nc1c(C)cc(C)cc1C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid?
The InChIKey is VQBOUDAOBMTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-4-21-11(17)7-15-14(20)16-12-9(3)5-8(2)6-10(12)13(18)19/h5-6H,4,7H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid?
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 63112385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).