N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide

C14H19BrN2O3 — CID 111491045

IUPACN'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide
SMILESCc1ccc(Br)cc1NC(=O)C(=O)NCC(C)CCO
InChIInChI=1S/C14H19BrN2O3/c1-9(5-6-18)8-16-13(19)14(20)17-12-7-11(15)4-3-10(12)2/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyNEFRAOYJDJMSGP-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.83
Rot. Bonds5

About N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide

N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide (PubChem CID 111491045) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide
PubChem CID111491045
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide
SMILESCc1ccc(Br)cc1NC(=O)C(=O)NCC(C)CCO
InChIInChI=1S/C14H19BrN2O3/c1-9(5-6-18)8-16-13(19)14(20)17-12-7-11(15)4-3-10(12)2/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyNEFRAOYJDJMSGP-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669822
N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
CID 111490995
(2S)-2-[(5-bromo-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005442
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
N-(4-hydroxy-2-methylbutyl)-N'-[2-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 111490979
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189
1-(5-bromo-2-methylphenyl)-3-(2-methylpropyl)thiourea
CID 115583610
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119762963

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide?
The IUPAC name of N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide (CID 111491045) is N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide.
What is the SMILES notation for N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide?
The canonical SMILES for N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide is Cc1ccc(Br)cc1NC(=O)C(=O)NCC(C)CCO.
What is the InChIKey of N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide?
The InChIKey is NEFRAOYJDJMSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9(5-6-18)8-16-13(19)14(20)17-12-7-11(15)4-3-10(12)2/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide?
N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide has a molecular weight of 343.22 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide is sourced from PubChem (CID 111491045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).