2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide

C13H20N2O2 — CID 116501032

IUPAC2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide
SMILESCOCC(C)CNc1ccc(CC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-10(9-17-2)8-15-12-5-3-11(4-6-12)7-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeyMNTYIYPSRPETNF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.41
Rot. Bonds7

About 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide

2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide (PubChem CID 116501032) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide
PubChem CID116501032
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide
SMILESCOCC(C)CNc1ccc(CC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-10(9-17-2)8-15-12-5-3-11(4-6-12)7-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeyMNTYIYPSRPETNF-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dimethylpentylamino)phenyl]acetamide
CID 114200586
2-[4-[(4-ethylphenyl)methylamino]phenyl]acetamide
CID 43724073
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]benzoic acid
CID 116501087
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
2-[4-[(3,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43786878
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
CID 43724056
ethane;2-[4-(methylamino)phenyl]acetamide
CID 142212219
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116500994
2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
CID 107678691
2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide
CID 43724074

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide?
The IUPAC name of 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide (CID 116501032) is 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide is COCC(C)CNc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide?
The InChIKey is MNTYIYPSRPETNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-17-2)8-15-12-5-3-11(4-6-12)7-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide?
2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide is sourced from PubChem (CID 116501032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).