(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide

C14H20BrNO3 — CID 100693614

IUPAC(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide
SMILESCC[C@@](C)(OC)C(=O)Nc1ccc(OCCBr)cc1
InChIInChI=1S/C14H20BrNO3/c1-4-14(2,18-3)13(17)16-11-5-7-12(8-6-11)19-10-9-15/h5-8H,4,9-10H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyUHEMOJPVWVNZFN-CQSZACIVSA-N
MW330.22 g/mol
LogP3.21
Rot. Bonds7

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

(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide (PubChem CID 100693614) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide
PubChem CID100693614
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide
SMILESCC[C@@](C)(OC)C(=O)Nc1ccc(OCCBr)cc1
InChIInChI=1S/C14H20BrNO3/c1-4-14(2,18-3)13(17)16-11-5-7-12(8-6-11)19-10-9-15/h5-8H,4,9-10H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyUHEMOJPVWVNZFN-CQSZACIVSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.21
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
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100695331
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245864
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726828
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726840
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
CID 100693908
(2R)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
CID 100693894
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide (CID 100693614) is (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide is CC[C@@](C)(OC)C(=O)Nc1ccc(OCCBr)cc1.
What is the InChIKey of (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide?
The InChIKey is UHEMOJPVWVNZFN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-4-14(2,18-3)13(17)16-11-5-7-12(8-6-11)19-10-9-15/h5-8H,4,9-10H2,1-3H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide?
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide has a molecular weight of 330.22 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 100693614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).