1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

C18H27N3O4 — CID 119791330

IUPAC1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOCCNCC(=O)N1CCCC1C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C18H27N3O4/c1-13-6-7-16(25-3)14(11-13)20-18(23)15-5-4-9-21(15)17(22)12-19-8-10-24-2/h6-7,11,15,19H,4-5,8-10,12H2,1-3H3,(H,20,23)
InChIKeyWRBWDDJYMBPCBK-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.17
Rot. Bonds8

About 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 119791330) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID119791330
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOCCNCC(=O)N1CCCC1C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C18H27N3O4/c1-13-6-7-16(25-3)14(11-13)20-18(23)15-5-4-9-21(15)17(22)12-19-8-10-24-2/h6-7,11,15,19H,4-5,8-10,12H2,1-3H3,(H,20,23)
InChIKeyWRBWDDJYMBPCBK-UHFFFAOYSA-N
XLogP1.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(4-aminophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791298
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327
2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4317281
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957
1-[2-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
N-(2-methoxy-5-methylphenyl)-1-(5-methyl-2H-triazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 126791949
1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119327963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide (CID 119791330) is 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide is COCCNCC(=O)N1CCCC1C(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is WRBWDDJYMBPCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-6-7-16(25-3)14(11-13)20-18(23)15-5-4-9-21(15)17(22)12-19-8-10-24-2/h6-7,11,15,19H,4-5,8-10,12H2,1-3H3,(H,20,23).
What are the key properties of 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide?
1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119791330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).