N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide

C17H20N2O2 — CID 43677282

IUPACN-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccccc2O)c1
InChIInChI=1S/C17H20N2O2/c1-3-17(21)19-14-9-8-12(2)15(10-14)18-11-13-6-4-5-7-16(13)20/h4-10,18,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyAICBOCJEOZTPIM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.66
Rot. Bonds5

About N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide

N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide (PubChem CID 43677282) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
PubChem CID43677282
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccccc2O)c1
InChIInChI=1S/C17H20N2O2/c1-3-17(21)19-14-9-8-12(2)15(10-14)18-11-13-6-4-5-7-16(13)20/h4-10,18,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyAICBOCJEOZTPIM-UHFFFAOYSA-N
XLogP3.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677290
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
N-(3-hydroxy-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740885
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
CID 64579578
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
3-[(2-hydroxyphenyl)methylamino]-4-methylbenzoic acid
CID 43727465
N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
CID 43679084
N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 86865777
N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide
CID 62749463
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide (CID 43677282) is N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCc2ccccc2O)c1.
What is the InChIKey of N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide?
The InChIKey is AICBOCJEOZTPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-17(21)19-14-9-8-12(2)15(10-14)18-11-13-6-4-5-7-16(13)20/h4-10,18,20H,3,11H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide?
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide is sourced from PubChem (CID 43677282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).