2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide

C21H22N2O5 — CID 10045437

IUPAC2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide
SMILESO=C(CN(CCO)CCO)Nc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C21H22N2O5/c24-11-9-23(10-12-25)14-21(27)22-16-7-5-15(6-8-16)20-13-18(26)17-3-1-2-4-19(17)28-20/h1-8,13,24-25H,9-12,14H2,(H,22,27)
InChIKeyPVBFGMARCGFMBC-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.69
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide

2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide (PubChem CID 10045437) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide
PubChem CID10045437
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide
SMILESO=C(CN(CCO)CCO)Nc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C21H22N2O5/c24-11-9-23(10-12-25)14-21(27)22-16-7-5-15(6-8-16)20-13-18(26)17-3-1-2-4-19(17)28-20/h1-8,13,24-25H,9-12,14H2,(H,22,27)
InChIKeyPVBFGMARCGFMBC-UHFFFAOYSA-N
XLogP1.69
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)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 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide (CID 10045437) is 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide is O=C(CN(CCO)CCO)Nc1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide?
The InChIKey is PVBFGMARCGFMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-11-9-23(10-12-25)14-21(27)22-16-7-5-15(6-8-16)20-13-18(26)17-3-1-2-4-19(17)28-20/h1-8,13,24-25H,9-12,14H2,(H,22,27).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide?
2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-[4-(4-oxochromen-2-yl)phenyl]acetamide is sourced from PubChem (CID 10045437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).