N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide

C14H20N2O3 — CID 55003400

IUPACN-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(N)=O)CC(C)C)cc1O
InChIInChI=1S/C14H20N2O3/c1-9(2)7-16(8-13(15)18)14(19)11-5-4-10(3)12(17)6-11/h4-6,9,17H,7-8H2,1-3H3,(H2,15,18)
InChIKeyXHOCXLIJVVNDKI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.28
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide

N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 55003400) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID55003400
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(N)=O)CC(C)C)cc1O
InChIInChI=1S/C14H20N2O3/c1-9(2)7-16(8-13(15)18)14(19)11-5-4-10(3)12(17)6-11/h4-6,9,17H,7-8H2,1-3H3,(H2,15,18)
InChIKeyXHOCXLIJVVNDKI-UHFFFAOYSA-N
XLogP1.28
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-4-chloro-3-methyl-N-(2-methylpropyl)benzamide
CID 91659506
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 103865180
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998556
N-(2-amino-2-oxoethyl)-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
CID 61052640
2-[(2-amino-2-oxoethyl)-(3,4-dihydroxybenzoyl)amino]acetic acid
CID 107728235
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
CID 63393949
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide (CID 55003400) is N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N(CC(N)=O)CC(C)C)cc1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is XHOCXLIJVVNDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)7-16(8-13(15)18)14(19)11-5-4-10(3)12(17)6-11/h4-6,9,17H,7-8H2,1-3H3,(H2,15,18).
What are the key properties of N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide?
N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.28, 5 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)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 55003400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).