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

C16H24BrNO3 — CID 100695331

IUPAC(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide
SMILESCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1
InChIInChI=1S/C16H24BrNO3/c1-12(2)11-16(3,20-4)15(19)18-13-5-7-14(8-6-13)21-10-9-17/h5-8,12H,9-11H2,1-4H3,(H,18,19)/t16-/m1/s1
InChIKeyPMMSUKQEGDHLHK-MRXNPFEDSA-N
MW358.28 g/mol
LogP3.85
Rot. Bonds8

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

(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide (PubChem CID 100695331) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide
PubChem CID100695331
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide
SMILESCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1
InChIInChI=1S/C16H24BrNO3/c1-12(2)11-16(3,20-4)15(19)18-13-5-7-14(8-6-13)21-10-9-17/h5-8,12H,9-11H2,1-4H3,(H,18,19)/t16-/m1/s1
InChIKeyPMMSUKQEGDHLHK-MRXNPFEDSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.85
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-(diethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133194288
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100693614
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133167161
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 100697214
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 133245908
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133245923
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100695248
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100695273
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide?
The IUPAC name of (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide (CID 100695331) is (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide is CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1.
What is the InChIKey of (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide?
The InChIKey is PMMSUKQEGDHLHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-12(2)11-16(3,20-4)15(19)18-13-5-7-14(8-6-13)21-10-9-17/h5-8,12H,9-11H2,1-4H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide?
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide has a molecular weight of 358.28 g/mol, XLogP of 3.85, 8 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-2,4-dimethylpentanamide is sourced from PubChem (CID 100695331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).