4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide

C16H23N3O3 — CID 120563800

IUPAC4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
SMILESCOc1ccccc1N1CCC(NC(=O)CCC(C)N)C1=O
InChIInChI=1S/C16H23N3O3/c1-11(17)7-8-15(20)18-12-9-10-19(16(12)21)13-5-3-4-6-14(13)22-2/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20)
InChIKeyANXVJDZCVWKJOC-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.04
Rot. Bonds6

About 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide

4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide (PubChem CID 120563800) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
PubChem CID120563800
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
SMILESCOc1ccccc1N1CCC(NC(=O)CCC(C)N)C1=O
InChIInChI=1S/C16H23N3O3/c1-11(17)7-8-15(20)18-12-9-10-19(16(12)21)13-5-3-4-6-14(13)22-2/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20)
InChIKeyANXVJDZCVWKJOC-UHFFFAOYSA-N
XLogP1.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide?
The IUPAC name of 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide (CID 120563800) is 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide?
The canonical SMILES for 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide is COc1ccccc1N1CCC(NC(=O)CCC(C)N)C1=O.
What is the InChIKey of 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide?
The InChIKey is ANXVJDZCVWKJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(17)7-8-15(20)18-12-9-10-19(16(12)21)13-5-3-4-6-14(13)22-2/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide?
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide has a molecular weight of 305.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 120563800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).