N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide

C12H16N2O3 — CID 60709622

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H16N2O3/c1-3-13-11(16)8(2)14-12(17)9-4-6-10(15)7-5-9/h4-8,15H,3H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNWHKJDHBLPCJEK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.65
Rot. Bonds4

About N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide (PubChem CID 60709622) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
PubChem CID60709622
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H16N2O3/c1-3-13-11(16)8(2)14-12(17)9-4-6-10(15)7-5-9/h4-8,15H,3H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNWHKJDHBLPCJEK-UHFFFAOYSA-N
XLogP0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217976
N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614761
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8751476
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide (CID 60709622) is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide is CCNC(=O)C(C)NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide?
The InChIKey is NWHKJDHBLPCJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-13-11(16)8(2)14-12(17)9-4-6-10(15)7-5-9/h4-8,15H,3H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide has a molecular weight of 236.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide is sourced from PubChem (CID 60709622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).