2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride

C15H25ClN2O2 — CID 120704236

IUPAC2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1cccc(COC(C)(C)C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-15(2,3)19-11-13-7-5-6-12(8-13)9-17-14(18)10-16-4;/h5-8,16H,9-11H2,1-4H3,(H,17,18);1H
InChIKeyVYYTWDHVSNOISQ-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.26
Rot. Bonds6

About 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride

2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride (PubChem CID 120704236) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride
PubChem CID120704236
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1cccc(COC(C)(C)C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-15(2,3)19-11-13-7-5-6-12(8-13)9-17-14(18)10-16-4;/h5-8,16H,9-11H2,1-4H3,(H,17,18);1H
InChIKeyVYYTWDHVSNOISQ-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
CID 174196710
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
3-[[[2-(methylamino)acetyl]amino]methyl]benzoic acid
CID 61162466
N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703880
1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 110922178
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
tert-butyl N-[2-[[3-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]carbamate
CID 56826930
4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46479161
1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
CID 119110641
1-[(3-fluorophenyl)methyl]-2-methyl-3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]guanidine
CID 111877365
2-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377092
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride (CID 120704236) is 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride is CNCC(=O)NCc1cccc(COC(C)(C)C)c1.Cl.
What is the InChIKey of 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride?
The InChIKey is VYYTWDHVSNOISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-15(2,3)19-11-13-7-5-6-12(8-13)9-17-14(18)10-16-4;/h5-8,16H,9-11H2,1-4H3,(H,17,18);1H.
What are the key properties of 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride?
2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120704236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).