2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide

C13H18N2O3 — CID 155023929

IUPAC2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(CC(N)=O)c(CCCO)c1
InChIInChI=1S/C13H18N2O3/c14-12(17)7-9-3-4-11(8-13(15)18)10(6-9)2-1-5-16/h3-4,6,16H,1-2,5,7-8H2,(H2,14,17)(H2,15,18)
InChIKeyNGFWOJHNHPJZQS-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.33
Rot. Bonds7

About 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide

2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide (PubChem CID 155023929) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide
PubChem CID155023929
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(CC(N)=O)c(CCCO)c1
InChIInChI=1S/C13H18N2O3/c14-12(17)7-9-3-4-11(8-13(15)18)10(6-9)2-1-5-16/h3-4,6,16H,1-2,5,7-8H2,(H2,14,17)(H2,15,18)
InChIKeyNGFWOJHNHPJZQS-UHFFFAOYSA-N
XLogP-0.33
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide (CID 155023929) is 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide is NC(=O)Cc1ccc(CC(N)=O)c(CCCO)c1.
What is the InChIKey of 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide?
The InChIKey is NGFWOJHNHPJZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-12(17)7-9-3-4-11(8-13(15)18)10(6-9)2-1-5-16/h3-4,6,16H,1-2,5,7-8H2,(H2,14,17)(H2,15,18).
What are the key properties of 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide?
2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-oxoethyl)-3-(3-hydroxypropyl)phenyl]acetamide is sourced from PubChem (CID 155023929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).