1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C24H32N2O4 — CID 73243636

IUPAC1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(O)CN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O4/c1-30-21-5-3-2-4-18(21)13-25-22(28)20-9-19(27)14-26(20)23(29)24-10-15-6-16(11-24)8-17(7-15)12-24/h2-5,15-17,19-20,27H,6-14H2,1H3,(H,25,28)
InChIKeyQZJWKGNUMQTKKJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.49
Rot. Bonds5

About 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 73243636) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID73243636
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(O)CN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O4/c1-30-21-5-3-2-4-18(21)13-25-22(28)20-9-19(27)14-26(20)23(29)24-10-15-6-16(11-24)8-17(7-15)12-24/h2-5,15-17,19-20,27H,6-14H2,1H3,(H,25,28)
InChIKeyQZJWKGNUMQTKKJ-UHFFFAOYSA-N
XLogP2.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 4857905
4-(adamantane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 47016204
1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 55343704
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
3-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791709
(4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
CID 95151733
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
2-benzoyl-N-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4827261
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55943713
(2S)-1-(adamantane-1-carbonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 33106317
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 73243636) is 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1ccccc1CNC(=O)C1CC(O)CN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is QZJWKGNUMQTKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-30-21-5-3-2-4-18(21)13-25-22(28)20-9-19(27)14-26(20)23(29)24-10-15-6-16(11-24)8-17(7-15)12-24/h2-5,15-17,19-20,27H,6-14H2,1H3,(H,25,28).
What are the key properties of 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 73243636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).