N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide

C13H18N2O3 — CID 103865091

IUPACN-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C13H18N2O3/c1-8(2)15(7-12(14)17)13(18)11-5-4-10(16)6-9(11)3/h4-6,8,16H,7H2,1-3H3,(H2,14,17)
InChIKeyCNEYUQJZNLSOBR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.04
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide

N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide (PubChem CID 103865091) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide
PubChem CID103865091
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C13H18N2O3/c1-8(2)15(7-12(14)17)13(18)11-5-4-10(16)6-9(11)3/h4-6,8,16H,7H2,1-3H3,(H2,14,17)
InChIKeyCNEYUQJZNLSOBR-UHFFFAOYSA-N
XLogP1.04
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 103865180
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120617672
N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide
CID 113222881
4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
CID 113341456
N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
CID 54943086
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
CID 113366951
N-(2-amino-2-oxoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79725497
N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide
CID 112794088
N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107670497
N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylquinoline-8-carboxamide
CID 75373226

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide (CID 103865091) is N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide is Cc1cc(O)ccc1C(=O)N(CC(N)=O)C(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is CNEYUQJZNLSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(2)15(7-12(14)17)13(18)11-5-4-10(16)6-9(11)3/h4-6,8,16H,7H2,1-3H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide?
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 103865091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).