1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

C18H27N3O3 — CID 119327963

IUPAC1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCCC(N)C(=O)N1CCCC1C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C18H27N3O3/c1-4-6-13(19)18(23)21-10-5-7-15(21)17(22)20-14-11-12(2)8-9-16(14)24-3/h8-9,11,13,15H,4-7,10,19H2,1-3H3,(H,20,22)
InChIKeyRXPJLYPZTNKZKP-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.06
Rot. Bonds6

About 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 119327963) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID119327963
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCCC(N)C(=O)N1CCCC1C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C18H27N3O3/c1-4-6-13(19)18(23)21-10-5-7-15(21)17(22)20-14-11-12(2)8-9-16(14)24-3/h8-9,11,13,15H,4-7,10,19H2,1-3H3,(H,20,22)
InChIKeyRXPJLYPZTNKZKP-UHFFFAOYSA-N
XLogP2.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4317281
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
1-[2-(4-aminophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791298
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957
N-(2-methoxy-5-methylphenyl)-1-(5-methyl-2H-triazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 126791949
1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791330
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791314
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119791313
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55883697
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42090206

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide (CID 119327963) is 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide is CCCC(N)C(=O)N1CCCC1C(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is RXPJLYPZTNKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-6-13(19)18(23)21-10-5-7-15(21)17(22)20-14-11-12(2)8-9-16(14)24-3/h8-9,11,13,15H,4-7,10,19H2,1-3H3,(H,20,22).
What are the key properties of 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119327963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).