N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride

C18H23ClN2O2 — CID 119522848

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc(COc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-18(2,13-19)20-17(21)15-10-8-14(9-11-15)12-22-16-6-4-3-5-7-16;/h3-11H,12-13,19H2,1-2H3,(H,20,21);1H
InChIKeyTVMBBVPCBKMTKN-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.15
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride (PubChem CID 119522848) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
PubChem CID119522848
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc(COc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-18(2,13-19)20-17(21)15-10-8-14(9-11-15)12-22-16-6-4-3-5-7-16;/h3-11H,12-13,19H2,1-2H3,(H,20,21);1H
InChIKeyTVMBBVPCBKMTKN-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110878329
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CID 119573755
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
CID 119521607
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride
CID 119521783
4-(phenoxymethyl)-N-prop-2-ynylbenzamide
CID 39737071
N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
N-methyl-4-phenylmethoxybenzamide
CID 2996745

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride (CID 119522848) is N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride is CC(C)(CN)NC(=O)c1ccc(COc2ccccc2)cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride?
The InChIKey is TVMBBVPCBKMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-18(2,13-19)20-17(21)15-10-8-14(9-11-15)12-22-16-6-4-3-5-7-16;/h3-11H,12-13,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride is sourced from PubChem (CID 119522848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).