N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide

C12H16N2O3 — CID 43389073

IUPACN-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCO)cc1
InChIInChI=1S/C12H16N2O3/c1-9-2-4-10(5-3-9)12(17)14-8-11(16)13-6-7-15/h2-5,15H,6-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyNABORSUEDYYKJR-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.17
Rot. Bonds5

About N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide

N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide (PubChem CID 43389073) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
PubChem CID43389073
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCO)cc1
InChIInChI=1S/C12H16N2O3/c1-9-2-4-10(5-3-9)12(17)14-8-11(16)13-6-7-15/h2-5,15H,6-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyNABORSUEDYYKJR-UHFFFAOYSA-N
XLogP-0.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
CID 107300460
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110113
4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699973
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide (CID 43389073) is N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NCCO)cc1.
What is the InChIKey of N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is NABORSUEDYYKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-2-4-10(5-3-9)12(17)14-8-11(16)13-6-7-15/h2-5,15H,6-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide?
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 236.27 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 43389073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).