N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide

C18H29N3O3 — CID 47059923

IUPACN-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
SMILESCC(C)NC(=O)N(C)c1ccc(OCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C18H29N3O3/c1-12(2)14(5)20-17(22)11-24-16-9-7-15(8-10-16)21(6)18(23)19-13(3)4/h7-10,12-14H,11H2,1-6H3,(H,19,23)(H,20,22)
InChIKeyYUWSMNJKRNARCP-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.78
Rot. Bonds7

About N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide

N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide (PubChem CID 47059923) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
PubChem CID47059923
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
SMILESCC(C)NC(=O)N(C)c1ccc(OCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C18H29N3O3/c1-12(2)14(5)20-17(22)11-24-16-9-7-15(8-10-16)21(6)18(23)19-13(3)4/h7-10,12-14H,11H2,1-6H3,(H,19,23)(H,20,22)
InChIKeyYUWSMNJKRNARCP-UHFFFAOYSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 55864863
N-[(4-chlorophenyl)methyl]-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 55864990
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate
CID 55750862
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
N-[(2R)-3-methylbutan-2-yl]-2-[4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 40785701
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60623787
N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 60522144
N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 134007912
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367621
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365734
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate
CID 55750737
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide (CID 47059923) is N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide is CC(C)NC(=O)N(C)c1ccc(OCC(=O)NC(C)C(C)C)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
The InChIKey is YUWSMNJKRNARCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12(2)14(5)20-17(22)11-24-16-9-7-15(8-10-16)21(6)18(23)19-13(3)4/h7-10,12-14H,11H2,1-6H3,(H,19,23)(H,20,22).
What are the key properties of N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide is sourced from PubChem (CID 47059923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).