2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide

C13H18N2O3 — CID 55205235

IUPAC2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C13H18N2O3/c1-9(15-10(2)17)13(18)14-7-11-4-3-5-12(6-11)8-16/h3-6,9,16H,7-8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeySQYSLGNIMRONSE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.32
Rot. Bonds5

About 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide

2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide (PubChem CID 55205235) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
PubChem CID55205235
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C13H18N2O3/c1-9(15-10(2)17)13(18)14-7-11-4-3-5-12(6-11)8-16/h3-6,9,16H,7-8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeySQYSLGNIMRONSE-UHFFFAOYSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid
CID 119246914
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 107218396
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 103810421
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 42936966
3-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230406

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide (CID 55205235) is 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide is CC(=O)NC(C)C(=O)NCc1cccc(CO)c1.
What is the InChIKey of 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The InChIKey is SQYSLGNIMRONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(15-10(2)17)13(18)14-7-11-4-3-5-12(6-11)8-16/h3-6,9,16H,7-8H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55205235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).