2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide

C15H21N3O6 — CID 171795110

IUPAC2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide
SMILESO=C(COCC(=O)NCC(=O)Nc1ccc(CO)cc1)NCCO
InChIInChI=1S/C15H21N3O6/c19-6-5-16-14(22)9-24-10-15(23)17-7-13(21)18-12-3-1-11(8-20)2-4-12/h1-4,19-20H,5-10H2,(H,16,22)(H,17,23)(H,18,21)
InChIKeyNUHGPUWSWDPSIT-UHFFFAOYSA-N
MW339.35 g/mol
LogP-1.64
Rot. Bonds10

About 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide

2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide (PubChem CID 171795110) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide
PubChem CID171795110
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Name2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide
SMILESO=C(COCC(=O)NCC(=O)Nc1ccc(CO)cc1)NCCO
InChIInChI=1S/C15H21N3O6/c19-6-5-16-14(22)9-24-10-15(23)17-7-13(21)18-12-3-1-11(8-20)2-4-12/h1-4,19-20H,5-10H2,(H,16,22)(H,17,23)(H,18,21)
InChIKeyNUHGPUWSWDPSIT-UHFFFAOYSA-N
XLogP-1.64
TPSA136.99 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 142383780
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
6-amino-2-[[2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-3-phenylpropanoyl]amino]-N-[4-(hydroxymethyl)phenyl]hexanamide
CID 118288433
N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
CID 4694962
4-[(2-ethoxyacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64590775
2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
CID 23625045
N-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603178
6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide
CID 166172986
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
2-amino-N-[4-(hydroxymethyl)phenyl]acetamide;ethane
CID 144997622

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide (CID 171795110) is 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide is O=C(COCC(=O)NCC(=O)Nc1ccc(CO)cc1)NCCO.
What is the InChIKey of 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide?
The InChIKey is NUHGPUWSWDPSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c19-6-5-16-14(22)9-24-10-15(23)17-7-13(21)18-12-3-1-11(8-20)2-4-12/h1-4,19-20H,5-10H2,(H,16,22)(H,17,23)(H,18,21).
What are the key properties of 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide?
2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide has a molecular weight of 339.35 g/mol, XLogP of -1.64, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 171795110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).