N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide

C18H21NO3 — CID 109388671

IUPACN-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2cccc(CO)c2)cc1C
InChIInChI=1S/C18H21NO3/c1-12-7-8-16(9-13(12)2)19-18(21)14(3)22-17-6-4-5-15(10-17)11-20/h4-10,14,20H,11H2,1-3H3,(H,19,21)
InChIKeySSDMPWZEIYBZLD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.20
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide

N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109388671) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109388671
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2cccc(CO)c2)cc1C
InChIInChI=1S/C18H21NO3/c1-12-7-8-16(9-13(12)2)19-18(21)14(3)22-17-6-4-5-15(10-17)11-20/h4-10,14,20H,11H2,1-3H3,(H,19,21)
InChIKeySSDMPWZEIYBZLD-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide
CID 109388875
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133211034
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
CID 109388816
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9173242
2-(3,4-dimethylphenoxy)-N-(3-hydroxyphenyl)propanamide
CID 17342123
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4944520

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109388671) is N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide is Cc1ccc(NC(=O)C(C)Oc2cccc(CO)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is SSDMPWZEIYBZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-7-8-16(9-13(12)2)19-18(21)14(3)22-17-6-4-5-15(10-17)11-20/h4-10,14,20H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 299.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109388671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).