N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide

C22H29N3O3 — CID 55650177

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)23-22(27)24-19-8-6-7-18(14-19)21(26)25(5)9-10-28-20-12-16(3)11-17(4)13-20/h6-8,11-15H,9-10H2,1-5H3,(H2,23,24,27)
InChIKeyWCGAABMFALDGHT-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.98
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55650177) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55650177
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)23-22(27)24-19-8-6-7-18(14-19)21(26)25(5)9-10-28-20-12-16(3)11-17(4)13-20/h6-8,11-15H,9-10H2,1-5H3,(H2,23,24,27)
InChIKeyWCGAABMFALDGHT-UHFFFAOYSA-N
XLogP3.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 47067365
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 9225229
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 26995436
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 31874270
N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648297
3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31873928
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26994635
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide (CID 55650177) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide is Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(NC(=O)NC(C)C)c2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is WCGAABMFALDGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)23-22(27)24-19-8-6-7-18(14-19)21(26)25(5)9-10-28-20-12-16(3)11-17(4)13-20/h6-8,11-15H,9-10H2,1-5H3,(H2,23,24,27).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55650177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).