5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide

C21H26N2O3 — CID 120625700

IUPAC5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(N)ccc3C)CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-3-6-17(22)13-19(15)20(24)23-14-21(9-11-26-12-10-21)16-4-7-18(25-2)8-5-16/h3-8,13H,9-12,14,22H2,1-2H3,(H,23,24)
InChIKeyBZCWGUYIZHIJMU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.06
Rot. Bonds5

About 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide

5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide (PubChem CID 120625700) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
PubChem CID120625700
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(N)ccc3C)CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-3-6-17(22)13-19(15)20(24)23-14-21(9-11-26-12-10-21)16-4-7-18(25-2)8-5-16/h3-8,13H,9-12,14,22H2,1-2H3,(H,23,24)
InChIKeyBZCWGUYIZHIJMU-UHFFFAOYSA-N
XLogP3.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120625639
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901459
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71753557
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 71707663
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-methylindole-5-carboxamide
CID 71753531

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide (CID 120625700) is 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide is COc1ccc(C2(CNC(=O)c3cc(N)ccc3C)CCOCC2)cc1.
What is the InChIKey of 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide?
The InChIKey is BZCWGUYIZHIJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-3-6-17(22)13-19(15)20(24)23-14-21(9-11-26-12-10-21)16-4-7-18(25-2)8-5-16/h3-8,13H,9-12,14,22H2,1-2H3,(H,23,24).
What are the key properties of 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide?
5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 120625700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).