N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide

C14H22BrN3O2 — CID 106147607

IUPACN-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
SMILESCN(C)CC(C)(O)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H22BrN3O2/c1-14(20,10-18(2)3)9-16-8-13(19)17-12-6-4-5-11(15)7-12/h4-7,16,20H,8-10H2,1-3H3,(H,17,19)
InChIKeyFTBVENNVELWJJG-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.29
Rot. Bonds7

About N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide

N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide (PubChem CID 106147607) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
PubChem CID106147607
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC NameN-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
SMILESCN(C)CC(C)(O)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H22BrN3O2/c1-14(20,10-18(2)3)9-16-8-13(19)17-12-6-4-5-11(15)7-12/h4-7,16,20H,8-10H2,1-3H3,(H,17,19)
InChIKeyFTBVENNVELWJJG-UHFFFAOYSA-N
XLogP1.29
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572652
N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
CID 66178826
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 28572661
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-phenylacetamide
CID 28572618
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
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-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide (CID 106147607) is N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide is CN(C)CC(C)(O)CNCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide?
The InChIKey is FTBVENNVELWJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-14(20,10-18(2)3)9-16-8-13(19)17-12-6-4-5-11(15)7-12/h4-7,16,20H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide?
N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide has a molecular weight of 344.25 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 106147607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).