N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide

C21H27N3O3 — CID 9168900

IUPACN-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NCc1ccccc1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H27N3O3/c1-3-13-24(15-20(25)22-14-17-9-5-4-6-10-17)16-21(26)23-18-11-7-8-12-19(18)27-2/h4-12H,3,13-16H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyAWYMLCZGKQNBJH-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.66
Rot. Bonds10

About N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide

N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide (PubChem CID 9168900) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
PubChem CID9168900
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NCc1ccccc1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H27N3O3/c1-3-13-24(15-20(25)22-14-17-9-5-4-6-10-17)16-21(26)23-18-11-7-8-12-19(18)27-2/h4-12H,3,13-16H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyAWYMLCZGKQNBJH-UHFFFAOYSA-N
XLogP2.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
N-benzyl-2-[ethyl(propyl)amino]acetamide
CID 142231835
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 38120268
N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168519
2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 86927857
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 24574878
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 24534367
2-[2-methoxyethyl(3-phenylpropyl)amino]-N-(2-methoxyphenyl)acetamide
CID 86860860

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide (CID 9168900) is N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)NCc1ccccc1)CC(=O)Nc1ccccc1OC.
What is the InChIKey of N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
The InChIKey is AWYMLCZGKQNBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-13-24(15-20(25)22-14-17-9-5-4-6-10-17)16-21(26)23-18-11-7-8-12-19(18)27-2/h4-12H,3,13-16H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide has a molecular weight of 369.46 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 9168900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).