3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid

C19H20N2O4 — CID 122029654

IUPAC3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H20N2O4/c22-18(21-7-9-25-10-8-21)15-4-2-6-17(12-15)20-13-14-3-1-5-16(11-14)19(23)24/h1-6,11-12,20H,7-10,13H2,(H,23,24)
InChIKeyBNOBWCBHJNAEOQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.47
Rot. Bonds5

About 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid

3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid (PubChem CID 122029654) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
PubChem CID122029654
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H20N2O4/c22-18(21-7-9-25-10-8-21)15-4-2-6-17(12-15)20-13-14-3-1-5-16(11-14)19(23)24/h1-6,11-12,20H,7-10,13H2,(H,23,24)
InChIKeyBNOBWCBHJNAEOQ-UHFFFAOYSA-N
XLogP2.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
CID 147198706
[3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone
CID 168593580
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 145404555
3-[(morpholin-4-ylamino)methyl]benzoic acid
CID 103261048
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54836716
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
N-methyl-2-[3-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54836368
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid?
The IUPAC name of 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid (CID 122029654) is 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid.
What is the SMILES notation for 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid?
The canonical SMILES for 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid is O=C(O)c1cccc(CNc2cccc(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid?
The InChIKey is BNOBWCBHJNAEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(21-7-9-25-10-8-21)15-4-2-6-17(12-15)20-13-14-3-1-5-16(11-14)19(23)24/h1-6,11-12,20H,7-10,13H2,(H,23,24).
What are the key properties of 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid?
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid is sourced from PubChem (CID 122029654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).