2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide

C13H19BrN2O2 — CID 82978692

IUPAC2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cccc(Br)c1O
InChIInChI=1S/C13H19BrN2O2/c1-9(2)6-16(8-12(15)17)7-10-4-3-5-11(14)13(10)18/h3-5,9,18H,6-8H2,1-2H3,(H2,15,17)
InChIKeyNXIBAICZZWJTLX-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.10
Rot. Bonds6

About 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide

2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 82978692) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID82978692
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cccc(Br)c1O
InChIInChI=1S/C13H19BrN2O2/c1-9(2)6-16(8-12(15)17)7-10-4-3-5-11(14)13(10)18/h3-5,9,18H,6-8H2,1-2H3,(H2,15,17)
InChIKeyNXIBAICZZWJTLX-UHFFFAOYSA-N
XLogP2.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
CID 103104513
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942779
2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
CID 55075613
2-[[2-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-(2-methylpropyl)amino]acetamide
CID 115465431
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978834
2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 107352912
3-[[(2-bromophenyl)methyl-(2-methylpropyl)amino]methyl]-2-fluorophenol
CID 167923785
2-[(3-bromo-2-hydroxyphenyl)methyl-propylamino]-N-methylacetamide
CID 82986387
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986439
2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064878
3-[[bis(2-methylpropyl)amino]methyl]-2-bromoaniline
CID 114048474
2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide
CID 112553358

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide (CID 82978692) is 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1cccc(Br)c1O.
What is the InChIKey of 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is NXIBAICZZWJTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(2)6-16(8-12(15)17)7-10-4-3-5-11(14)13(10)18/h3-5,9,18H,6-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 315.21 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 82978692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).