N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide

C14H19N3O3 — CID 60805866

IUPACN-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(C(=O)N(CC(N)=O)C2CCNC2)c1
InChIInChI=1S/C14H19N3O3/c1-20-12-4-2-3-10(7-12)14(19)17(9-13(15)18)11-5-6-16-8-11/h2-4,7,11,16H,5-6,8-9H2,1H3,(H2,15,18)
InChIKeyDLWGJEXAHRREII-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.02
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide

N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide (PubChem CID 60805866) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
PubChem CID60805866
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(C(=O)N(CC(N)=O)C2CCNC2)c1
InChIInChI=1S/C14H19N3O3/c1-20-12-4-2-3-10(7-12)14(19)17(9-13(15)18)11-5-6-16-8-11/h2-4,7,11,16H,5-6,8-9H2,1H3,(H2,15,18)
InChIKeyDLWGJEXAHRREII-UHFFFAOYSA-N
XLogP-0.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60806691
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 107014678
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922797
1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
CID 61310944

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide (CID 60805866) is N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide is COc1cccc(C(=O)N(CC(N)=O)C2CCNC2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide?
The InChIKey is DLWGJEXAHRREII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-12-4-2-3-10(7-12)14(19)17(9-13(15)18)11-5-6-16-8-11/h2-4,7,11,16H,5-6,8-9H2,1H3,(H2,15,18).
What are the key properties of N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide?
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide has a molecular weight of 277.32 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 60805866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).