N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide

C17H24BrNO3 — CID 82258715

IUPACN-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide
SMILESCCOc1cc(C(=O)C(C)Br)ccc1NC(=O)C(CC)CC
InChIInChI=1S/C17H24BrNO3/c1-5-12(6-2)17(21)19-14-9-8-13(16(20)11(4)18)10-15(14)22-7-3/h8-12H,5-7H2,1-4H3,(H,19,21)
InChIKeyWPSMDRAILDTBTR-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.43
Rot. Bonds8

About N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide

N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide (PubChem CID 82258715) has the molecular formula C17H24BrNO3 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide
PubChem CID82258715
Molecular FormulaC17H24BrNO3
Molecular Weight370.29 g/mol
Exact Mass369.09
IUPAC NameN-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide
SMILESCCOc1cc(C(=O)C(C)Br)ccc1NC(=O)C(CC)CC
InChIInChI=1S/C17H24BrNO3/c1-5-12(6-2)17(21)19-14-9-8-13(16(20)11(4)18)10-15(14)22-7-3/h8-12H,5-7H2,1-4H3,(H,19,21)
InChIKeyWPSMDRAILDTBTR-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-3-methylbutanoyl)-2-ethoxyphenyl]butanamide
CID 82258920
2-bromo-1-[3-ethoxy-4-(trifluoromethyl)phenyl]propan-1-one
CID 134618862
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119340157
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
3-[[4-(dimethylcarbamoyl)-2-ethoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086227
methyl 3-amino-4-(2-ethylbutanoylamino)benzoate
CID 110481379
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide?
The IUPAC name of N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide (CID 82258715) is N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide?
The canonical SMILES for N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide is CCOc1cc(C(=O)C(C)Br)ccc1NC(=O)C(CC)CC.
What is the InChIKey of N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide?
The InChIKey is WPSMDRAILDTBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO3/c1-5-12(6-2)17(21)19-14-9-8-13(16(20)11(4)18)10-15(14)22-7-3/h8-12H,5-7H2,1-4H3,(H,19,21).
What are the key properties of N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide?
N-[4-(2-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide 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-bromopropanoyl)-2-ethoxyphenyl]-2-ethylbutanamide is sourced from PubChem (CID 82258715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).