N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide

C20H25N3O3 — CID 112974507

IUPACN-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCOc2cc(C)c(C)cc2C)c1
InChIInChI=1S/C20H25N3O3/c1-13-10-15(3)19(11-14(13)2)26-9-8-21-20(25)23-18-7-5-6-17(12-18)22-16(4)24/h5-7,10-12H,8-9H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyDWYDYWKTRHVEPJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.77
Rot. Bonds6

About N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide

N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide (PubChem CID 112974507) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
PubChem CID112974507
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCOc2cc(C)c(C)cc2C)c1
InChIInChI=1S/C20H25N3O3/c1-13-10-15(3)19(11-14(13)2)26-9-8-21-20(25)23-18-7-5-6-17(12-18)22-16(4)24/h5-7,10-12H,8-9H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyDWYDYWKTRHVEPJ-UHFFFAOYSA-N
XLogP3.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974475
N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974359
1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974535
N-(3-acetamidophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978105
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484
1-(2-propan-2-yloxyphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974497
2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101223
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975399
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea
CID 112975367

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide (CID 112974507) is N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCCOc2cc(C)c(C)cc2C)c1.
What is the InChIKey of N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide?
The InChIKey is DWYDYWKTRHVEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-10-15(3)19(11-14(13)2)26-9-8-21-20(25)23-18-7-5-6-17(12-18)22-16(4)24/h5-7,10-12H,8-9H2,1-4H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide?
N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 112974507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).