4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

C20H23N3O4 — CID 17481283

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1OCC(N)=O
InChIInChI=1S/C20H23N3O4/c1-26-18-12-14(4-9-17(18)27-13-19(21)24)20(25)22-15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H2,21,24)(H,22,25)
InChIKeyPUVGDYDJJBPMJW-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.41
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 17481283) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID17481283
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1OCC(N)=O
InChIInChI=1S/C20H23N3O4/c1-26-18-12-14(4-9-17(18)27-13-19(21)24)20(25)22-15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H2,21,24)(H,22,25)
InChIKeyPUVGDYDJJBPMJW-UHFFFAOYSA-N
XLogP2.41
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
3,4-dimethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 2238784
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 110424980
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 17358556
2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 26654844
4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
CID 9232157

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 17481283) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is PUVGDYDJJBPMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-18-12-14(4-9-17(18)27-13-19(21)24)20(25)22-15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 17481283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).