N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide

C19H23N3O4 — CID 74227693

IUPACN-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN(CCC#N)Cc1ccco1
InChIInChI=1S/C19H23N3O4/c1-15(23)21-18-7-2-3-8-19(18)26-14-16(24)12-22(10-5-9-20)13-17-6-4-11-25-17/h2-4,6-8,11,16,24H,5,10,12-14H2,1H3,(H,21,23)
InChIKeyPIOKLPBKXYNECQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.39
Rot. Bonds10

About N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide

N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 74227693) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID74227693
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN(CCC#N)Cc1ccco1
InChIInChI=1S/C19H23N3O4/c1-15(23)21-18-7-2-3-8-19(18)26-14-16(24)12-22(10-5-9-20)13-17-6-4-11-25-17/h2-4,6-8,11,16,24H,5,10,12-14H2,1H3,(H,21,23)
InChIKeyPIOKLPBKXYNECQ-UHFFFAOYSA-N
XLogP2.39
TPSA98.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide (CID 74227693) is N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(O)CN(CCC#N)Cc1ccco1.
What is the InChIKey of N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is PIOKLPBKXYNECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-15(23)21-18-7-2-3-8-19(18)26-14-16(24)12-22(10-5-9-20)13-17-6-4-11-25-17/h2-4,6-8,11,16,24H,5,10,12-14H2,1H3,(H,21,23).
What are the key properties of N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 74227693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).