N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide

C18H20N2O3 — CID 95776980

IUPACN-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CNc1ccccc1[C@H](C)O
InChIInChI=1S/C18H20N2O3/c1-12(21)14-7-3-5-9-16(14)19-11-18(23)20-17-10-6-4-8-15(17)13(2)22/h3-10,12,19,21H,11H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyIYVBWGOKZUNELU-LBPRGKRZSA-N
MW312.37 g/mol
LogP2.99
Rot. Bonds6

About N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide

N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide (PubChem CID 95776980) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide
PubChem CID95776980
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CNc1ccccc1[C@H](C)O
InChIInChI=1S/C18H20N2O3/c1-12(21)14-7-3-5-9-16(14)19-11-18(23)20-17-10-6-4-8-15(17)13(2)22/h3-10,12,19,21H,11H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyIYVBWGOKZUNELU-LBPRGKRZSA-N
XLogP2.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 54963204
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
N-(2-acetylphenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086100
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N-(2-acetylphenyl)-2-(4-phenylanilino)acetamide
CID 39912347
N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 46538000
N-(2-acetylphenyl)-3,4,4-trimethylpentanamide
CID 63823020
N-(2-acetylphenyl)-2-(benzhydrylamino)acetamide
CID 7971269
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide (CID 95776980) is N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide is CC(=O)c1ccccc1NC(=O)CNc1ccccc1[C@H](C)O.
What is the InChIKey of N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide?
The InChIKey is IYVBWGOKZUNELU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(21)14-7-3-5-9-16(14)19-11-18(23)20-17-10-6-4-8-15(17)13(2)22/h3-10,12,19,21H,11H2,1-2H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide?
N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide is sourced from PubChem (CID 95776980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).