1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

C14H20N4O3 — CID 43212131

IUPAC1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(N)cc1NC(=O)CN1CCCC1C(N)=O
InChIInChI=1S/C14H20N4O3/c1-21-12-5-4-9(15)7-10(12)17-13(19)8-18-6-2-3-11(18)14(16)20/h4-5,7,11H,2-3,6,8,15H2,1H3,(H2,16,20)(H,17,19)
InChIKeyHOCOLBSERMLSLV-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.17
Rot. Bonds5

About 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 43212131) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID43212131
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(N)cc1NC(=O)CN1CCCC1C(N)=O
InChIInChI=1S/C14H20N4O3/c1-21-12-5-4-9(15)7-10(12)17-13(19)8-18-6-2-3-11(18)14(16)20/h4-5,7,11H,2-3,6,8,15H2,1H3,(H2,16,20)(H,17,19)
InChIKeyHOCOLBSERMLSLV-UHFFFAOYSA-N
XLogP0.17
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879
N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 16782750
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62918714
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
CID 40918330
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406482
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 11930996
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 94824962
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 15475907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 43212131) is 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is COc1ccc(N)cc1NC(=O)CN1CCCC1C(N)=O.
What is the InChIKey of 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is HOCOLBSERMLSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-21-12-5-4-9(15)7-10(12)17-13(19)8-18-6-2-3-11(18)14(16)20/h4-5,7,11H,2-3,6,8,15H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43212131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).