N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C18H25N3O4 — CID 120947049

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCC3CNCC3O)CC(=O)N2C)cc1
InChIInChI=1S/C18H25N3O4/c1-21-16(23)7-14(17(21)11-3-5-13(25-2)6-4-11)18(24)20-9-12-8-19-10-15(12)22/h3-6,12,14-15,17,19,22H,7-10H2,1-2H3,(H,20,24)
InChIKeyVUTTZTLCGMCAEU-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.09
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 120947049) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID120947049
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCC3CNCC3O)CC(=O)N2C)cc1
InChIInChI=1S/C18H25N3O4/c1-21-16(23)7-14(17(21)11-3-5-13(25-2)6-4-11)18(24)20-9-12-8-19-10-15(12)22/h3-6,12,14-15,17,19,22H,7-10H2,1-2H3,(H,20,24)
InChIKeyVUTTZTLCGMCAEU-UHFFFAOYSA-N
XLogP-0.09
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 120947049) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc(C2C(C(=O)NCC3CNCC3O)CC(=O)N2C)cc1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VUTTZTLCGMCAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-21-16(23)7-14(17(21)11-3-5-13(25-2)6-4-11)18(24)20-9-12-8-19-10-15(12)22/h3-6,12,14-15,17,19,22H,7-10H2,1-2H3,(H,20,24).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120947049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).