[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate

C23H24N2O4 — CID 55750737

IUPAC[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate
SMILESCC(C)NC(=O)N(C)c1ccc(OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O4/c1-16(2)24-23(27)25(3)19-9-12-20(13-10-19)29-22(26)15-28-21-11-8-17-6-4-5-7-18(17)14-21/h4-14,16H,15H2,1-3H3,(H,24,27)
InChIKeyUSDHPEITVHLQHK-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.38
Rot. Bonds6

About [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate

[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate (PubChem CID 55750737) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate
PubChem CID55750737
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate
SMILESCC(C)NC(=O)N(C)c1ccc(OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O4/c1-16(2)24-23(27)25(3)19-9-12-20(13-10-19)29-22(26)15-28-21-11-8-17-6-4-5-7-18(17)14-21/h4-14,16H,15H2,1-3H3,(H,24,27)
InChIKeyUSDHPEITVHLQHK-UHFFFAOYSA-N
XLogP4.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate
CID 55750862
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(3-acetylphenoxy)acetate
CID 55827824
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911
N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 47059923
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-propan-2-ylacetamide
CID 17479065
N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 55864863
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
CID 4095400
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate
CID 18870014
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea
CID 60522595
3,3-dimethylbutan-2-yl 2-naphthalen-2-yloxyacetate
CID 86034979

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate (CID 55750737) is [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate is CC(C)NC(=O)N(C)c1ccc(OC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is USDHPEITVHLQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16(2)24-23(27)25(3)19-9-12-20(13-10-19)29-22(26)15-28-21-11-8-17-6-4-5-7-18(17)14-21/h4-14,16H,15H2,1-3H3,(H,24,27).
What are the key properties of [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate?
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 392.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 55750737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).