4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid

C23H29NO5 — CID 119357938

IUPAC4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(C23CC4CC(CC(C(=O)N5CCOC(C(=O)O)C5)(C4)C2)C3)cc1
InChIInChI=1S/C23H29NO5/c1-28-18-4-2-17(3-5-18)22-9-15-8-16(10-22)12-23(11-15,14-22)21(27)24-6-7-29-19(13-24)20(25)26/h2-5,15-16,19H,6-14H2,1H3,(H,25,26)
InChIKeyZMGWQZDPRMHZBC-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.85
Rot. Bonds4

About 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid

4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid (PubChem CID 119357938) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid
PubChem CID119357938
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(C23CC4CC(CC(C(=O)N5CCOC(C(=O)O)C5)(C4)C2)C3)cc1
InChIInChI=1S/C23H29NO5/c1-28-18-4-2-17(3-5-18)22-9-15-8-16(10-22)12-23(11-15,14-22)21(27)24-6-7-29-19(13-24)20(25)26/h2-5,15-16,19H,6-14H2,1H3,(H,25,26)
InChIKeyZMGWQZDPRMHZBC-UHFFFAOYSA-N
XLogP2.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxylic acid
CID 98044309
2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid
CID 119248000
3,4-dihydro-1H-isoquinolin-2-yl-[(5R,7R)-3-(4-methoxyphenyl)-1-adamantyl]methanone
CID 98301605
[(5S,7S)-3-(4-methoxyphenyl)-1-adamantyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 98606495
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98079985
azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid
CID 62003252
1-[(5R,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]piperidine-4-carboxylic acid
CID 98043389
(5R,7R)-3-(4-methoxyphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 98138085
2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid
CID 23735496
(5R,7R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98139811

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid (CID 119357938) is 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid is COc1ccc(C23CC4CC(CC(C(=O)N5CCOC(C(=O)O)C5)(C4)C2)C3)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is ZMGWQZDPRMHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-28-18-4-2-17(3-5-18)22-9-15-8-16(10-22)12-23(11-15,14-22)21(27)24-6-7-29-19(13-24)20(25)26/h2-5,15-16,19H,6-14H2,1H3,(H,25,26).
What are the key properties of 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid?
4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 399.49 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119357938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).