3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide

C17H20N2O2 — CID 24698834

IUPAC3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccccc1CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-21-16-10-6-5-9-14(16)12-19-17(20)11-15(18)13-7-3-2-4-8-13/h2-10,15H,11-12,18H2,1H3,(H,19,20)
InChIKeyMKGFGSPKKKHBIK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.40
Rot. Bonds6

About 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide

3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 24698834) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
PubChem CID24698834
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccccc1CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-21-16-10-6-5-9-14(16)12-19-17(20)11-15(18)13-7-3-2-4-8-13/h2-10,15H,11-12,18H2,1H3,(H,19,20)
InChIKeyMKGFGSPKKKHBIK-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
CID 119952264
3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 119952019
3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
CID 119949663
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide (CID 24698834) is 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide is COc1ccccc1CNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is MKGFGSPKKKHBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-16-10-6-5-9-14(16)12-19-17(20)11-15(18)13-7-3-2-4-8-13/h2-10,15H,11-12,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide?
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 24698834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).