2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide

C13H20N2O2 — CID 113354885

IUPAC2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide
SMILESCOC(C)C(C)Nc1ccccc1CC(N)=O
InChIInChI=1S/C13H20N2O2/c1-9(10(2)17-3)15-12-7-5-4-6-11(12)8-13(14)16/h4-7,9-10,15H,8H2,1-3H3,(H2,14,16)
InChIKeyRQCHXSHXFLOXAY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds6

About 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide

2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide (PubChem CID 113354885) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide
PubChem CID113354885
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide
SMILESCOC(C)C(C)Nc1ccccc1CC(N)=O
InChIInChI=1S/C13H20N2O2/c1-9(10(2)17-3)15-12-7-5-4-6-11(12)8-13(14)16/h4-7,9-10,15H,8H2,1-3H3,(H2,14,16)
InChIKeyRQCHXSHXFLOXAY-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(3-methoxybutan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936279
2-[2-(octan-2-ylamino)phenyl]acetamide
CID 43738518
2-bromo-N-(3-methoxybutan-2-yl)aniline
CID 115928171
N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 51080425
2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43738512
2-[2-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738545
2-[2-[1-(2,5-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738423
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
CID 102905002
2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64993085
N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide
CID 43692244
N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
CID 115916566
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide?
The IUPAC name of 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide (CID 113354885) is 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide is COC(C)C(C)Nc1ccccc1CC(N)=O.
What is the InChIKey of 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide?
The InChIKey is RQCHXSHXFLOXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(10(2)17-3)15-12-7-5-4-6-11(12)8-13(14)16/h4-7,9-10,15H,8H2,1-3H3,(H2,14,16).
What are the key properties of 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide?
2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 113354885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).