(2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide

C16H23BrN2O2 — CID 129338347

IUPAC(2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide
SMILESCC(C)[C@H]1OCC[C@@H]1CN[C@H](C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O2/c1-10(2)15-12(7-8-21-15)9-19-14(16(18)20)11-3-5-13(17)6-4-11/h3-6,10,12,14-15,19H,7-9H2,1-2H3,(H2,18,20)/t12-,14+,15-/m1/s1
InChIKeyUHDWAARCRBKLJX-VHDGCEQUSA-N
MW355.28 g/mol
LogP2.63
Rot. Bonds6

About (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide

(2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide (PubChem CID 129338347) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide
PubChem CID129338347
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name(2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide
SMILESCC(C)[C@H]1OCC[C@@H]1CN[C@H](C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O2/c1-10(2)15-12(7-8-21-15)9-19-14(16(18)20)11-3-5-13(17)6-4-11/h3-6,10,12,14-15,19H,7-9H2,1-2H3,(H2,18,20)/t12-,14+,15-/m1/s1
InChIKeyUHDWAARCRBKLJX-VHDGCEQUSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-bromophenyl)-2-[[(2S,3R)-2-phenyloxolan-3-yl]methylamino]acetamide
CID 129327629
2-(4-bromophenyl)-2-(2-hydroxyethylamino)acetamide
CID 54857240
(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
CID 97315932
2-(cyclopropylmethylamino)-2-(4-cyclopropylphenyl)acetamide
CID 79983972
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54916019
3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide
CID 128993203
4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
CID 119343856
2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60995391
N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
CID 115726723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide?
The IUPAC name of (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide (CID 129338347) is (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide?
The canonical SMILES for (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide is CC(C)[C@H]1OCC[C@@H]1CN[C@H](C(N)=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide?
The InChIKey is UHDWAARCRBKLJX-VHDGCEQUSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-10(2)15-12(7-8-21-15)9-19-14(16(18)20)11-3-5-13(17)6-4-11/h3-6,10,12,14-15,19H,7-9H2,1-2H3,(H2,18,20)/t12-,14+,15-/m1/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide?
(2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide has a molecular weight of 355.28 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide is sourced from PubChem (CID 129338347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).