3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide

C14H19N3O3 — CID 119454270

IUPAC3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)NC2CCNC2)c1
InChIInChI=1S/C14H19N3O3/c15-14(19)10-2-1-3-12(8-10)20-7-5-13(18)17-11-4-6-16-9-11/h1-3,8,11,16H,4-7,9H2,(H2,15,19)(H,17,18)
InChIKeyBAYOPAFGMJTYGQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.03
Rot. Bonds6

About 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide

3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide (PubChem CID 119454270) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide.

Molecular Properties

Compound Name3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
PubChem CID119454270
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)NC2CCNC2)c1
InChIInChI=1S/C14H19N3O3/c15-14(19)10-2-1-3-12(8-10)20-7-5-13(18)17-11-4-6-16-9-11/h1-3,8,11,16H,4-7,9H2,(H2,15,19)(H,17,18)
InChIKeyBAYOPAFGMJTYGQ-UHFFFAOYSA-N
XLogP0.03
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide?
The IUPAC name of 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide (CID 119454270) is 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide.
What is the SMILES notation for 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide?
The canonical SMILES for 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide is NC(=O)c1cccc(OCCC(=O)NC2CCNC2)c1.
What is the InChIKey of 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide?
The InChIKey is BAYOPAFGMJTYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-14(19)10-2-1-3-12(8-10)20-7-5-13(18)17-11-4-6-16-9-11/h1-3,8,11,16H,4-7,9H2,(H2,15,19)(H,17,18).
What are the key properties of 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide?
3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide has a molecular weight of 277.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide is sourced from PubChem (CID 119454270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).