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

C17H20N2O2 — CID 62878721

IUPAC3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide
SMILESCN(Cc1ccccc1O)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-19(12-14-9-5-6-10-16(14)20)17(21)15(11-18)13-7-3-2-4-8-13/h2-10,15,20H,11-12,18H2,1H3
InChIKeyPQUKCIFOGKCGFN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.09
Rot. Bonds5

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

3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide (PubChem CID 62878721) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide
PubChem CID62878721
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide
SMILESCN(Cc1ccccc1O)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-19(12-14-9-5-6-10-16(14)20)17(21)15(11-18)13-7-3-2-4-8-13/h2-10,15,20H,11-12,18H2,1H3
InChIKeyPQUKCIFOGKCGFN-UHFFFAOYSA-N
XLogP2.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62877834
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 119681798
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide (CID 62878721) is 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide is CN(Cc1ccccc1O)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide?
The InChIKey is PQUKCIFOGKCGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(12-14-9-5-6-10-16(14)20)17(21)15(11-18)13-7-3-2-4-8-13/h2-10,15,20H,11-12,18H2,1H3.
What are the key properties of 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide?
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 62878721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).