N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide

C14H21NO2 — CID 96661088

IUPACN-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)NCCCO)cc1C
InChIInChI=1S/C14H21NO2/c1-10-7-12(3)13(8-11(10)2)9-14(17)15-5-4-6-16/h7-8,16H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyZZWQTHFRGNHXBZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds5

About N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide

N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide (PubChem CID 96661088) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide
PubChem CID96661088
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)NCCCO)cc1C
InChIInChI=1S/C14H21NO2/c1-10-7-12(3)13(8-11(10)2)9-14(17)15-5-4-6-16/h7-8,16H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyZZWQTHFRGNHXBZ-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,5-trimethylphenyl)acetohydrazide
CID 100523227
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 110783031
2-sulfanyl-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115167394
2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
CID 110004740
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
2-[2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-4-methoxy-5-methylphenyl]acetic acid
CID 144723155
2-sulfanyl-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115167183
N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 98016358
4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide
CID 96666562
N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide
CID 115163051

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide (CID 96661088) is N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide is Cc1cc(C)c(CC(=O)NCCCO)cc1C.
What is the InChIKey of N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide?
The InChIKey is ZZWQTHFRGNHXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-12(3)13(8-11(10)2)9-14(17)15-5-4-6-16/h7-8,16H,4-6,9H2,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide?
N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide is sourced from PubChem (CID 96661088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).