N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide

C20H25N3O3 — CID 26429400

IUPACN-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
SMILESCc1ccc(OCCN(C)CC(=O)NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O3/c1-16-8-10-18(11-9-16)26-13-12-23(2)15-19(24)22-20(25)21-14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H2,21,22,24,25)
InChIKeyLYQCRQBIJFXAMN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.33
Rot. Bonds8

About N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide

N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide (PubChem CID 26429400) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
PubChem CID26429400
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
SMILESCc1ccc(OCCN(C)CC(=O)NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O3/c1-16-8-10-18(11-9-16)26-13-12-23(2)15-19(24)22-20(25)21-14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H2,21,22,24,25)
InChIKeyLYQCRQBIJFXAMN-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119912328
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8754959
N-(benzylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197304
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
N-[(2-methoxyphenyl)methyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 41416179
N-(benzylcarbamoyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18196365
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24674360
N-(2-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429305
N-[(4-methoxyphenyl)methyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 32614696
N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18124582

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide (CID 26429400) is N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide is Cc1ccc(OCCN(C)CC(=O)NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
The InChIKey is LYQCRQBIJFXAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-16-8-10-18(11-9-16)26-13-12-23(2)15-19(24)22-20(25)21-14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H2,21,22,24,25).
What are the key properties of N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 26429400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).