3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride

C20H25ClN2O2 — CID 119749819

IUPAC3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)c2cccc(N)c2)CCOCC1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15-5-2-3-8-18(15)20(9-11-24-12-10-20)14-22-19(23)16-6-4-7-17(21)13-16;/h2-8,13H,9-12,14,21H2,1H3,(H,22,23);1H
InChIKeyUJGHNDXAMSAQAI-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.48
Rot. Bonds4

About 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride

3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride (PubChem CID 119749819) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
PubChem CID119749819
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)c2cccc(N)c2)CCOCC1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15-5-2-3-8-18(15)20(9-11-24-12-10-20)14-22-19(23)16-6-4-7-17(21)13-16;/h2-8,13H,9-12,14,21H2,1H3,(H,22,23);1H
InChIKeyUJGHNDXAMSAQAI-UHFFFAOYSA-N
XLogP3.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
2-iodo-4-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528468
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
3-bromo-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449390
2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid
CID 119183964
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride (CID 119749819) is 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride is Cc1ccccc1C1(CNC(=O)c2cccc(N)c2)CCOCC1.Cl.
What is the InChIKey of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride?
The InChIKey is UJGHNDXAMSAQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-15-5-2-3-8-18(15)20(9-11-24-12-10-20)14-22-19(23)16-6-4-7-17(21)13-16;/h2-8,13H,9-12,14,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride?
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119749819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).