N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide

C16H24BrNO3 — CID 133246014

IUPACN-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
SMILESCCCCC(C)(OC)C(=O)Nc1ccc(OCCBr)cc1
InChIInChI=1S/C16H24BrNO3/c1-4-5-10-16(2,20-3)15(19)18-13-6-8-14(9-7-13)21-12-11-17/h6-9H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyNFKORKKKYWWZSL-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.99
Rot. Bonds9

About N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide

N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide (PubChem CID 133246014) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide.

Molecular Properties

Compound NameN-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
PubChem CID133246014
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC NameN-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
SMILESCCCCC(C)(OC)C(=O)Nc1ccc(OCCBr)cc1
InChIInChI=1S/C16H24BrNO3/c1-4-5-10-16(2,20-3)15(19)18-13-6-8-14(9-7-13)21-12-11-17/h6-9H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyNFKORKKKYWWZSL-UHFFFAOYSA-N
XLogP3.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.99
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

(2S)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 100697214
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726828
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726840
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100693614
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100695331
N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
CID 133245961
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide?
The IUPAC name of N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide (CID 133246014) is N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide.
What is the SMILES notation for N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide?
The canonical SMILES for N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide is CCCCC(C)(OC)C(=O)Nc1ccc(OCCBr)cc1.
What is the InChIKey of N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide?
The InChIKey is NFKORKKKYWWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-4-5-10-16(2,20-3)15(19)18-13-6-8-14(9-7-13)21-12-11-17/h6-9H,4-5,10-12H2,1-3H3,(H,18,19).
What are the key properties of N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide?
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide has a molecular weight of 358.28 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide is sourced from PubChem (CID 133246014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).