4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid

C20H20N2O5 — CID 119216217

IUPAC4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCOCC2C(=O)O)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O5/c1-13-7-8-15(19(24)22-9-10-27-12-17(22)20(25)26)11-16(13)21-18(23)14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,21,23)(H,25,26)
InChIKeySVILGGDTUXHGJP-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.17
Rot. Bonds4

About 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid

4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid (PubChem CID 119216217) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid
PubChem CID119216217
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCOCC2C(=O)O)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O5/c1-13-7-8-15(19(24)22-9-10-27-12-17(22)20(25)26)11-16(13)21-18(23)14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,21,23)(H,25,26)
InChIKeySVILGGDTUXHGJP-UHFFFAOYSA-N
XLogP2.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
CID 97240619
1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119354954
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
4-(4-methyl-2,3-dihydro-1,4-benzoxazine-6-carbonyl)morpholine-3-carboxylic acid
CID 167817659
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid (CID 119216217) is 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid is Cc1ccc(C(=O)N2CCOCC2C(=O)O)cc1NC(=O)c1ccccc1.
What is the InChIKey of 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid?
The InChIKey is SVILGGDTUXHGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13-7-8-15(19(24)22-9-10-27-12-17(22)20(25)26)11-16(13)21-18(23)14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid?
4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119216217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).