N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide

C17H24BrNO3 — CID 82258920

IUPACN-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)C(Br)C(C)C)cc1OCC
InChIInChI=1S/C17H24BrNO3/c1-5-7-15(20)19-13-9-8-12(10-14(13)22-6-2)17(21)16(18)11(3)4/h8-11,16H,5-7H2,1-4H3,(H,19,20)
InChIKeyHUVMRLAMWSYHSM-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.43
Rot. Bonds8

About N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide

N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide (PubChem CID 82258920) has the molecular formula C17H24BrNO3 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide.

Molecular Properties

Compound NameN-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide
PubChem CID82258920
Molecular FormulaC17H24BrNO3
Molecular Weight370.29 g/mol
Exact Mass369.09
IUPAC NameN-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)C(Br)C(C)C)cc1OCC
InChIInChI=1S/C17H24BrNO3/c1-5-7-15(20)19-13-9-8-12(10-14(13)22-6-2)17(21)16(18)11(3)4/h8-11,16H,5-7H2,1-4H3,(H,19,20)
InChIKeyHUVMRLAMWSYHSM-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-bromo-2-methylpropanoyl)-2-ethoxyphenyl]butanamide
CID 82258987
N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide
CID 82258715
N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
CID 1428135
4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid
CID 82260151
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408
N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862887
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
CID 82260260
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132
4-[3-(2-ethoxy-4-methylanilino)-3-oxopropyl]benzoic acid
CID 119181144

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide?
The IUPAC name of N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide (CID 82258920) is N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide.
What is the SMILES notation for N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide?
The canonical SMILES for N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)C(Br)C(C)C)cc1OCC.
What is the InChIKey of N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide?
The InChIKey is HUVMRLAMWSYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO3/c1-5-7-15(20)19-13-9-8-12(10-14(13)22-6-2)17(21)16(18)11(3)4/h8-11,16H,5-7H2,1-4H3,(H,19,20).
What are the key properties of N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide?
N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide has a molecular weight of 370.29 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide is sourced from PubChem (CID 82258920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).