2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid

C16H21NO4 — CID 103428878

IUPAC2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
SMILESCCC1COCCN1C(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C16H21NO4/c1-4-12-9-21-8-7-17(12)15(18)13-10(2)5-6-11(3)14(13)16(19)20/h5-6,12H,4,7-9H2,1-3H3,(H,19,20)
InChIKeyGXZGGSUTPZTMTI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.25
Rot. Bonds3

About 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid

2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid (PubChem CID 103428878) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
PubChem CID103428878
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
SMILESCCC1COCCN1C(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C16H21NO4/c1-4-12-9-21-8-7-17(12)15(18)13-10(2)5-6-11(3)14(13)16(19)20/h5-6,12H,4,7-9H2,1-3H3,(H,19,20)
InChIKeyGXZGGSUTPZTMTI-UHFFFAOYSA-N
XLogP2.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethylmorpholine-4-carbonyl)-3,6-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

3-[(3S)-3-ethylmorpholine-4-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170504892
(2-amino-6-methoxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 81420429
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
6-(3-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107262017
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696729
(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613155
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid?
The IUPAC name of 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid (CID 103428878) is 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid?
The canonical SMILES for 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid is CCC1COCCN1C(=O)c1c(C)ccc(C)c1C(=O)O.
What is the InChIKey of 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid?
The InChIKey is GXZGGSUTPZTMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-4-12-9-21-8-7-17(12)15(18)13-10(2)5-6-11(3)14(13)16(19)20/h5-6,12H,4,7-9H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid?
2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid is sourced from PubChem (CID 103428878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).