3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide

C23H30N2O2 — CID 119749804

IUPAC3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
SMILESCc1ccccc1C1(CNC(=O)C(C)C(N)c2ccccc2)CCOCC1
InChIInChI=1S/C23H30N2O2/c1-17-8-6-7-11-20(17)23(12-14-27-15-13-23)16-25-22(26)18(2)21(24)19-9-4-3-5-10-19/h3-11,18,21H,12-16,24H2,1-2H3,(H,25,26)
InChIKeySJFIOVMYWRGODG-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.50
Rot. Bonds6

About 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide

3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide (PubChem CID 119749804) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
PubChem CID119749804
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
SMILESCc1ccccc1C1(CNC(=O)C(C)C(N)c2ccccc2)CCOCC1
InChIInChI=1S/C23H30N2O2/c1-17-8-6-7-11-20(17)23(12-14-27-15-13-23)16-25-22(26)18(2)21(24)19-9-4-3-5-10-19/h3-11,18,21H,12-16,24H2,1-2H3,(H,25,26)
InChIKeySJFIOVMYWRGODG-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
3-amino-2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-3-phenylpropanamide
CID 119805546
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
CID 120500104
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
2-methyl-1-(3-methylbutan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]guanidine
CID 111000615
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445799

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide (CID 119749804) is 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide is Cc1ccccc1C1(CNC(=O)C(C)C(N)c2ccccc2)CCOCC1.
What is the InChIKey of 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
The InChIKey is SJFIOVMYWRGODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-8-6-7-11-20(17)23(12-14-27-15-13-23)16-25-22(26)18(2)21(24)19-9-4-3-5-10-19/h3-11,18,21H,12-16,24H2,1-2H3,(H,25,26).
What are the key properties of 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide has a molecular weight of 366.51 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 119749804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).