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

C18H20N2O3 — CID 86865777

IUPACN-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C18H20N2O3/c1-3-17(22)19-14-8-7-12(2)16(11-14)20-18(23)10-13-5-4-6-15(21)9-13/h4-9,11,21H,3,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVXTHJKZWZXEOOZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.23
Rot. Bonds5

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

N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide (PubChem CID 86865777) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide
PubChem CID86865777
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C18H20N2O3/c1-3-17(22)19-14-8-7-12(2)16(11-14)20-18(23)10-13-5-4-6-15(21)9-13/h4-9,11,21H,3,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVXTHJKZWZXEOOZ-UHFFFAOYSA-N
XLogP3.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 46467166
N-(3-amino-4-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399667
N-(4-hydroxy-2,5-dimethylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 106834834
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
2-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 61399458
N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 67560299
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-[4-(aminomethyl)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399107
N-(4-amino-5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 104667363

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide (CID 86865777) is N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)Cc2cccc(O)c2)c1.
What is the InChIKey of N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide?
The InChIKey is VXTHJKZWZXEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-17(22)19-14-8-7-12(2)16(11-14)20-18(23)10-13-5-4-6-15(21)9-13/h4-9,11,21H,3,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide?
N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 86865777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).