N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide

C20H25N3O3 — CID 112974359

IUPACN-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCOc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C20H25N3O3/c1-13-8-9-14(2)19(15(13)3)26-11-10-21-20(25)23-18-7-5-6-17(12-18)22-16(4)24/h5-9,12H,10-11H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyUGXGUFVDXRQDAG-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.77
Rot. Bonds6

About N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide

N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide (PubChem CID 112974359) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
PubChem CID112974359
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCOc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C20H25N3O3/c1-13-8-9-14(2)19(15(13)3)26-11-10-21-20(25)23-18-7-5-6-17(12-18)22-16(4)24/h5-9,12H,10-11H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyUGXGUFVDXRQDAG-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

N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974507
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112973376
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
1-(3-chlorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974633
3-[(2,3,6-trimethylphenoxy)methylcarbamoylamino]benzoic acid
CID 108880080
1-[3-(2,6-dimethylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108881565
N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108878043
1-[2-(dimethylamino)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974258
1-(2-methylpropyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974246
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
1-(4-chloro-2-methylphenyl)-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973357
1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112973925

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide (CID 112974359) is N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCCOc2c(C)ccc(C)c2C)c1.
What is the InChIKey of N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide?
The InChIKey is UGXGUFVDXRQDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-8-9-14(2)19(15(13)3)26-11-10-21-20(25)23-18-7-5-6-17(12-18)22-16(4)24/h5-9,12H,10-11H2,1-4H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide?
N-[3-[2-(2,3,6-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-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 112974359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).