2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide

C17H25N3O4 — CID 119341793

IUPAC2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
SMILESCCCC(N)C(=O)NC1CCN(c2cc(OC)cc(OC)c2)C1=O
InChIInChI=1S/C17H25N3O4/c1-4-5-14(18)16(21)19-15-6-7-20(17(15)22)11-8-12(23-2)10-13(9-11)24-3/h8-10,14-15H,4-7,18H2,1-3H3,(H,19,21)
InChIKeyPIOSBCXFRZNXGX-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.05
Rot. Bonds7

About 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide

2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide (PubChem CID 119341793) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
PubChem CID119341793
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
SMILESCCCC(N)C(=O)NC1CCN(c2cc(OC)cc(OC)c2)C1=O
InChIInChI=1S/C17H25N3O4/c1-4-5-14(18)16(21)19-15-6-7-20(17(15)22)11-8-12(23-2)10-13(9-11)24-3/h8-10,14-15H,4-7,18H2,1-3H3,(H,19,21)
InChIKeyPIOSBCXFRZNXGX-UHFFFAOYSA-N
XLogP1.05
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide?
The IUPAC name of 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide (CID 119341793) is 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide is CCCC(N)C(=O)NC1CCN(c2cc(OC)cc(OC)c2)C1=O.
What is the InChIKey of 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide?
The InChIKey is PIOSBCXFRZNXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-4-5-14(18)16(21)19-15-6-7-20(17(15)22)11-8-12(23-2)10-13(9-11)24-3/h8-10,14-15H,4-7,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide?
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide has a molecular weight of 335.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 119341793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).