N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide

C19H23N3O3 — CID 4879435

IUPACN-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C19H23N3O3/c23-18(14-21-19(24)15-7-2-1-3-8-15)20-13-16(17-9-6-12-25-17)22-10-4-5-11-22/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H,20,23)(H,21,24)
InChIKeyNPMOPCRECASUKC-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.96
Rot. Bonds7

About N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide

N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 4879435) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID4879435
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C19H23N3O3/c23-18(14-21-19(24)15-7-2-1-3-8-15)20-13-16(17-9-6-12-25-17)22-10-4-5-11-22/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H,20,23)(H,21,24)
InChIKeyNPMOPCRECASUKC-UHFFFAOYSA-N
XLogP1.96
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 4879435) is N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is NPMOPCRECASUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(14-21-19(24)15-7-2-1-3-8-15)20-13-16(17-9-6-12-25-17)22-10-4-5-11-22/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4879435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).