2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride

C13H21ClN2O2 — CID 119752817

IUPAC2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(OC(C)(C)C)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2,3)17-11-7-5-10(6-8-11)15-12(16)9-14-4;/h5-8,14H,9H2,1-4H3,(H,15,16);1H
InChIKeyIADPVLOCZLBROE-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.44
Rot. Bonds4

About 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride

2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride (PubChem CID 119752817) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
PubChem CID119752817
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(OC(C)(C)C)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2,3)17-11-7-5-10(6-8-11)15-12(16)9-14-4;/h5-8,14H,9H2,1-4H3,(H,15,16);1H
InChIKeyIADPVLOCZLBROE-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 98784394
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 110480815
2-(methylamino)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18084877
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119723419
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
N-[4-(3,5-dimethoxyphenoxy)phenyl]-2-(methylamino)acetamide
CID 154939563
methyl 4-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]benzoate
CID 110437454
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672801
(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
CID 119305650

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride (CID 119752817) is 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride is CNCC(=O)Nc1ccc(OC(C)(C)C)cc1.Cl.
What is the InChIKey of 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride?
The InChIKey is IADPVLOCZLBROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-13(2,3)17-11-7-5-10(6-8-11)15-12(16)9-14-4;/h5-8,14H,9H2,1-4H3,(H,15,16);1H.
What are the key properties of 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride?
2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119752817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).