N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide

C16H21N3O3 — CID 54452280

IUPACN-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide
SMILESCCN(CCn1c(O)ccc1O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H21N3O3/c1-3-18(9-10-19-15(21)7-8-16(19)22)14-6-4-5-13(11-14)17-12(2)20/h4-8,11,21-22H,3,9-10H2,1-2H3,(H,17,20)
InChIKeyWVTLQTHTTMRYFF-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.38
Rot. Bonds6

About N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide

N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide (PubChem CID 54452280) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide
PubChem CID54452280
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide
SMILESCCN(CCn1c(O)ccc1O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H21N3O3/c1-3-18(9-10-19-15(21)7-8-16(19)22)14-6-4-5-13(11-14)17-12(2)20/h4-8,11,21-22H,3,9-10H2,1-2H3,(H,17,20)
InChIKeyWVTLQTHTTMRYFF-UHFFFAOYSA-N
XLogP2.38
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide (CID 54452280) is N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide is CCN(CCn1c(O)ccc1O)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide?
The InChIKey is WVTLQTHTTMRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-18(9-10-19-15(21)7-8-16(19)22)14-6-4-5-13(11-14)17-12(2)20/h4-8,11,21-22H,3,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide?
N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,5-dihydroxypyrrol-1-yl)ethyl-ethylamino]phenyl]acetamide is sourced from PubChem (CID 54452280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).