2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide

C13H18N2O3 — CID 54963356

IUPAC2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide
SMILESCC(=O)NC(C)C(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C13H18N2O3/c1-8(14-10(3)17)13(18)15-12-7-5-4-6-11(12)9(2)16/h4-9,16H,1-3H3,(H,14,17)(H,15,18)
InChIKeyKXBKTJPJNNNVFJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.20
Rot. Bonds4

About 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide

2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide (PubChem CID 54963356) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide
PubChem CID54963356
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide
SMILESCC(=O)NC(C)C(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C13H18N2O3/c1-8(14-10(3)17)13(18)15-12-7-5-4-6-11(12)9(2)16/h4-9,16H,1-3H3,(H,14,17)(H,15,18)
InChIKeyKXBKTJPJNNNVFJ-UHFFFAOYSA-N
XLogP1.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide
CID 60728820
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62727616
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 54963204
2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508470
3-(ethylamino)-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838572
3-(2-acetamidopropanoylamino)-2-hydroxybenzoic acid
CID 113458409
1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
CID 43508574
2-(2-acetamidopropanoylamino)-6-fluorobenzoic acid
CID 43442727
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-(2-propan-2-ylphenyl)propanamide
CID 723442

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide?
The IUPAC name of 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide (CID 54963356) is 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide?
The canonical SMILES for 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide is CC(=O)NC(C)C(=O)Nc1ccccc1C(C)O.
What is the InChIKey of 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide?
The InChIKey is KXBKTJPJNNNVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(14-10(3)17)13(18)15-12-7-5-4-6-11(12)9(2)16/h4-9,16H,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide?
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide has a molecular weight of 250.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide is sourced from PubChem (CID 54963356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).