(3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide

C16H24BrNO2 — CID 100701953

IUPAC(3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide
SMILESCC(C)[C@H](C)CC(=O)NC[C@@](C)(O)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2/c1-11(2)12(3)9-15(19)18-10-16(4,20)13-7-5-6-8-14(13)17/h5-8,11-12,20H,9-10H2,1-4H3,(H,18,19)/t12-,16-/m1/s1
InChIKeyZRIPJWKUEYHDAT-MLGOLLRUSA-N
MW342.28 g/mol
LogP3.45
Rot. Bonds6

About (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide

(3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide (PubChem CID 100701953) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide
PubChem CID100701953
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name(3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide
SMILESCC(C)[C@H](C)CC(=O)NC[C@@](C)(O)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2/c1-11(2)12(3)9-15(19)18-10-16(4,20)13-7-5-6-8-14(13)17/h5-8,11-12,20H,9-10H2,1-4H3,(H,18,19)/t12-,16-/m1/s1
InChIKeyZRIPJWKUEYHDAT-MLGOLLRUSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide?
The IUPAC name of (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide (CID 100701953) is (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide?
The canonical SMILES for (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide is CC(C)[C@H](C)CC(=O)NC[C@@](C)(O)c1ccccc1Br.
What is the InChIKey of (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide?
The InChIKey is ZRIPJWKUEYHDAT-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-11(2)12(3)9-15(19)18-10-16(4,20)13-7-5-6-8-14(13)17/h5-8,11-12,20H,9-10H2,1-4H3,(H,18,19)/t12-,16-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide?
(3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide has a molecular weight of 342.28 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide is sourced from PubChem (CID 100701953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).