N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide

C21H27N3O4 — CID 120886264

IUPACN-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
SMILESCNC(=O)COc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-23-20(25)15-28-18-9-8-17(14-19(18)27-2)21(26)24(13-11-22)12-10-16-6-4-3-5-7-16/h3-9,14H,10-13,15,22H2,1-2H3,(H,23,25)
InChIKeyNOMHENFXAISFJZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.46
Rot. Bonds10

About N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide

N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide (PubChem CID 120886264) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
PubChem CID120886264
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
SMILESCNC(=O)COc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-23-20(25)15-28-18-9-8-17(14-19(18)27-2)21(26)24(13-11-22)12-10-16-6-4-3-5-7-16/h3-9,14H,10-13,15,22H2,1-2H3,(H,23,25)
InChIKeyNOMHENFXAISFJZ-UHFFFAOYSA-N
XLogP1.46
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-4-(difluoromethoxy)-3-methoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886341
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
CID 119346726
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide
CID 120884384
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884383
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide (CID 120886264) is N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide is CNC(=O)COc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1OC.
What is the InChIKey of N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide?
The InChIKey is NOMHENFXAISFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-23-20(25)15-28-18-9-8-17(14-19(18)27-2)21(26)24(13-11-22)12-10-16-6-4-3-5-7-16/h3-9,14H,10-13,15,22H2,1-2H3,(H,23,25).
What are the key properties of N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide?
N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide has a molecular weight of 385.46 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 120886264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).