N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride

C20H25ClN2O3 — CID 70068669

IUPACN'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride
SMILESCC(C)(Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC(N)=O.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-20(2,22-19(24)12-18(21)23)13-15-8-10-17(11-9-15)25-14-16-6-4-3-5-7-16;/h3-11H,12-14H2,1-2H3,(H2,21,23)(H,22,24);1H
InChIKeyCHZBYOVQFZHMKZ-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.00
Rot. Bonds8

About N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride

N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride (PubChem CID 70068669) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride.

Molecular Properties

Compound NameN'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride
PubChem CID70068669
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride
SMILESCC(C)(Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC(N)=O.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-20(2,22-19(24)12-18(21)23)13-15-8-10-17(11-9-15)25-14-16-6-4-3-5-7-16;/h3-11H,12-14H2,1-2H3,(H2,21,23)(H,22,24);1H
InChIKeyCHZBYOVQFZHMKZ-UHFFFAOYSA-N
XLogP3.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
2-(4-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84568280
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
2-methoxy-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84570069
N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
CID 119522848
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride?
The IUPAC name of N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride (CID 70068669) is N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride.
What is the SMILES notation for N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride?
The canonical SMILES for N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride is CC(C)(Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC(N)=O.Cl.
What is the InChIKey of N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride?
The InChIKey is CHZBYOVQFZHMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-20(2,22-19(24)12-18(21)23)13-15-8-10-17(11-9-15)25-14-16-6-4-3-5-7-16;/h3-11H,12-14H2,1-2H3,(H2,21,23)(H,22,24);1H.
What are the key properties of N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride?
N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride is sourced from PubChem (CID 70068669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).