(2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate

C14H18N4O5 — CID 139562752

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1ccc(NC(=O)ON2C(=O)CCC2O)cc1C(N)=O
InChIInChI=1S/C14H18N4O5/c1-17(2)10-4-3-8(7-9(10)13(15)21)16-14(22)23-18-11(19)5-6-12(18)20/h3-4,7,11,19H,5-6H2,1-2H3,(H2,15,21)(H,16,22)
InChIKeyZIIPDWIXCBJFMH-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.26
Rot. Bonds4

About (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate

(2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate (PubChem CID 139562752) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate
PubChem CID139562752
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1ccc(NC(=O)ON2C(=O)CCC2O)cc1C(N)=O
InChIInChI=1S/C14H18N4O5/c1-17(2)10-4-3-8(7-9(10)13(15)21)16-14(22)23-18-11(19)5-6-12(18)20/h3-4,7,11,19H,5-6H2,1-2H3,(H2,15,21)(H,16,22)
InChIKeyZIIPDWIXCBJFMH-UHFFFAOYSA-N
XLogP0.26
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate
CID 146560988
5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide
CID 168543669
(2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate
CID 87207235
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 88868762
5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
CID 811746
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42747203
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
CID 156562908
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate (CID 139562752) is (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate is CN(C)c1ccc(NC(=O)ON2C(=O)CCC2O)cc1C(N)=O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate?
The InChIKey is ZIIPDWIXCBJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-17(2)10-4-3-8(7-9(10)13(15)21)16-14(22)23-18-11(19)5-6-12(18)20/h3-4,7,11,19H,5-6H2,1-2H3,(H2,15,21)(H,16,22).
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate?
(2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate has a molecular weight of 322.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate is sourced from PubChem (CID 139562752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).