N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide

C14H19N3O3 — CID 107675675

IUPACN-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1cc(C(=O)N(CC(N)=O)C2CCNC2)ccc1O
InChIInChI=1S/C14H19N3O3/c1-9-6-10(2-3-12(9)18)14(20)17(8-13(15)19)11-4-5-16-7-11/h2-3,6,11,16,18H,4-5,7-8H2,1H3,(H2,15,19)
InChIKeyJBKDVQCIUXIMJU-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.01
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide

N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 107675675) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID107675675
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1cc(C(=O)N(CC(N)=O)C2CCNC2)ccc1O
InChIInChI=1S/C14H19N3O3/c1-9-6-10(2-3-12(9)18)14(20)17(8-13(15)19)11-4-5-16-7-11/h2-3,6,11,16,18H,4-5,7-8H2,1H3,(H2,15,19)
InChIKeyJBKDVQCIUXIMJU-UHFFFAOYSA-N
XLogP-0.01
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866
N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806005
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 107014678
N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 81445402
N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
CID 79213778
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
CID 60800165
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
CID 60799804
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60806691

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide (CID 107675675) is N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide is Cc1cc(C(=O)N(CC(N)=O)C2CCNC2)ccc1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is JBKDVQCIUXIMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-6-10(2-3-12(9)18)14(20)17(8-13(15)19)11-4-5-16-7-11/h2-3,6,11,16,18H,4-5,7-8H2,1H3,(H2,15,19).
What are the key properties of N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide?
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 277.32 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 107675675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).