N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride

C15H25ClN2O2 — CID 119813108

IUPACN-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(Cc1ccccc1OC)C(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)13(17-15(18)10-16-3)9-12-7-5-6-8-14(12)19-4;/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18);1H
InChIKeyOYJDEOLZDLCBIS-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.02
Rot. Bonds7

About N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride

N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119813108) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119813108
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(Cc1ccccc1OC)C(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)13(17-15(18)10-16-3)9-12-7-5-6-8-14(12)19-4;/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18);1H
InChIKeyOYJDEOLZDLCBIS-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 119813115
1-(3-hydroxypropyl)-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631495
1-(3-hydroxybutyl)-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631499
N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
CID 106354657
5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685825
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 71864458
N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 96525041
2-[(2-methoxyphenyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60688505
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631492
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
3-[(2-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 69226800

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride (CID 119813108) is N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NC(Cc1ccccc1OC)C(C)C.Cl.
What is the InChIKey of N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is OYJDEOLZDLCBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11(2)13(17-15(18)10-16-3)9-12-7-5-6-8-14(12)19-4;/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18);1H.
What are the key properties of N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride?
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119813108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).