2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C20H26ClN3O2 — CID 120871651

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN(CCN)CCc1ccccc1
InChIInChI=1S/C20H26ClN3O2/c1-15-12-18(19(26-2)13-17(15)21)23-20(25)14-24(11-9-22)10-8-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14,22H2,1-2H3,(H,23,25)
InChIKeyOBODYOBIPNAHAE-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.10
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 120871651) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID120871651
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN(CCN)CCc1ccccc1
InChIInChI=1S/C20H26ClN3O2/c1-15-12-18(19(26-2)13-17(15)21)23-20(25)14-24(11-9-22)10-8-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14,22H2,1-2H3,(H,23,25)
InChIKeyOBODYOBIPNAHAE-UHFFFAOYSA-N
XLogP3.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 18084887
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120871664
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203066
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
2-[butyl(2-hydroxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 110881535
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942346
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249569

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 120871651) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN(CCN)CCc1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is OBODYOBIPNAHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-15-12-18(19(26-2)13-17(15)21)23-20(25)14-24(11-9-22)10-8-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14,22H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 375.90 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 120871651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).