N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide

C13H19BrN2O2 — CID 113293844

IUPACN-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
SMILESCC(C)(CO)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,9-17)8-15-7-12(18)16-11-5-3-4-10(14)6-11/h3-6,15,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyYPKKWRXRKAOXEE-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.00
Rot. Bonds6

About N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide

N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide (PubChem CID 113293844) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
PubChem CID113293844
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
SMILESCC(C)(CO)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,9-17)8-15-7-12(18)16-11-5-3-4-10(14)6-11/h3-6,15,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyYPKKWRXRKAOXEE-UHFFFAOYSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572652
N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
CID 106147607
N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
CID 66178826
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
CID 107865329
N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide
CID 106175410
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 28572661
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide (CID 113293844) is N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide is CC(C)(CO)CNCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide?
The InChIKey is YPKKWRXRKAOXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,9-17)8-15-7-12(18)16-11-5-3-4-10(14)6-11/h3-6,15,17H,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide?
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide has a molecular weight of 315.21 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide is sourced from PubChem (CID 113293844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).