1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide

C25H34N2O3 — CID 55343704

IUPAC1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H34N2O3/c1-26(16-20-6-3-4-8-22(20)30-2)23(28)21-7-5-9-27(21)24(29)25-13-17-10-18(14-25)12-19(11-17)15-25/h3-4,6,8,17-19,21H,5,7,9-16H2,1-2H3
InChIKeyRJEOYBANQWOZOV-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.86
Rot. Bonds5

About 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 55343704) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID55343704
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H34N2O3/c1-26(16-20-6-3-4-8-22(20)30-2)23(28)21-7-5-9-27(21)24(29)25-13-17-10-18(14-25)12-19(11-17)15-25/h3-4,6,8,17-19,21H,5,7,9-16H2,1-2H3
InChIKeyRJEOYBANQWOZOV-UHFFFAOYSA-N
XLogP3.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(adamantane-1-carbonyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 112790475
(2S)-1-(adamantane-1-carbonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 33106317
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 95278534
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51143645
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide
CID 55469391
4-(adamantane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 47016204
1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 132762136
2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977987
1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 73243636
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 43005135
N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 55343704) is 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide is COc1ccccc1CN(C)C(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RJEOYBANQWOZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-26(16-20-6-3-4-8-22(20)30-2)23(28)21-7-5-9-27(21)24(29)25-13-17-10-18(14-25)12-19(11-17)15-25/h3-4,6,8,17-19,21H,5,7,9-16H2,1-2H3.
What are the key properties of 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55343704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).