(2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C14H20BrN3O2 — CID 124614224

IUPAC(2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-9(2)17-12(19)8-18(3)13(14(16)20)10-5-4-6-11(15)7-10/h4-7,9,13H,8H2,1-3H3,(H2,16,20)(H,17,19)/t13-/m1/s1
InChIKeyZNEROLVVSMTANW-CYBMUJFWSA-N
MW342.24 g/mol
LogP1.43
Rot. Bonds6

About (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

(2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 124614224) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID124614224
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name(2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-9(2)17-12(19)8-18(3)13(14(16)20)10-5-4-6-11(15)7-10/h4-7,9,13H,8H2,1-3H3,(H2,16,20)(H,17,19)/t13-/m1/s1
InChIKeyZNEROLVVSMTANW-CYBMUJFWSA-N
XLogP1.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 124614224) is (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CC(C)NC(=O)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is ZNEROLVVSMTANW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9(2)17-12(19)8-18(3)13(14(16)20)10-5-4-6-11(15)7-10/h4-7,9,13H,8H2,1-3H3,(H2,16,20)(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
(2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 342.24 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 124614224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).