N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide

C12H16N2O2 — CID 90152027

IUPACN-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide
SMILES[H]/N=C(/C(=O)Nc1ccc(CC)cc1)C(C)O
InChIInChI=1S/C12H16N2O2/c1-3-9-4-6-10(7-5-9)14-12(16)11(13)8(2)15/h4-8,13,15H,3H2,1-2H3,(H,14,16)/b13-11+
InChIKeySBWUKYLZJSAAKW-ACCUITESSA-N
MW220.27 g/mol
LogP1.59
Rot. Bonds4

About N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide

N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide (PubChem CID 90152027) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide
PubChem CID90152027
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide
SMILES[H]/N=C(/C(=O)Nc1ccc(CC)cc1)C(C)O
InChIInChI=1S/C12H16N2O2/c1-3-9-4-6-10(7-5-9)14-12(16)11(13)8(2)15/h4-8,13,15H,3H2,1-2H3,(H,14,16)/b13-11+
InChIKeySBWUKYLZJSAAKW-ACCUITESSA-N
XLogP1.59
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
CID 51058469
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
3-(4-ethylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578837
4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 93040826
1-(4-ethylphenyl)-3-methylurea
CID 54250791
N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide?
The IUPAC name of N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide (CID 90152027) is N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide is [H]/N=C(/C(=O)Nc1ccc(CC)cc1)C(C)O.
What is the InChIKey of N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide?
The InChIKey is SBWUKYLZJSAAKW-ACCUITESSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-9-4-6-10(7-5-9)14-12(16)11(13)8(2)15/h4-8,13,15H,3H2,1-2H3,(H,14,16)/b13-11+.
What are the key properties of N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide?
N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide has a molecular weight of 220.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide is sourced from PubChem (CID 90152027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).