2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide

C14H21BrN2O2 — CID 110885617

IUPAC2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(O)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)16-14(19)9-17(3)8-13(18)11-5-4-6-12(15)7-11/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,19)
InChIKeyDDOYVISDINWILU-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.94
Rot. Bonds6

About 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 110885617) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID110885617
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(O)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)16-14(19)9-17(3)8-13(18)11-5-4-6-12(15)7-11/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,19)
InChIKeyDDOYVISDINWILU-UHFFFAOYSA-N
XLogP1.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
CID 110897731
N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048960
1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol
CID 61477128
2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide
CID 94399881
3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155534689
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
CID 110880161

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide (CID 110885617) is 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(O)c1cccc(Br)c1.
What is the InChIKey of 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is DDOYVISDINWILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(2)16-14(19)9-17(3)8-13(18)11-5-4-6-12(15)7-11/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 329.24 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 110885617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).