3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide

C20H26ClN3O — CID 70138919

IUPAC3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide
SMILESCCN(CCc1ccc(Cl)cc1)C(CN)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26ClN3O/c1-2-24(13-12-16-8-10-18(21)11-9-16)19(14-22)20(25)23-15-17-6-4-3-5-7-17/h3-11,19H,2,12-15,22H2,1H3,(H,23,25)
InChIKeyMIRUMMGBTSPIMY-UHFFFAOYSA-N
MW359.90 g/mol
LogP2.85
Rot. Bonds9

About 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide

3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide (PubChem CID 70138919) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide
PubChem CID70138919
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide
SMILESCCN(CCc1ccc(Cl)cc1)C(CN)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26ClN3O/c1-2-24(13-12-16-8-10-18(21)11-9-16)19(14-22)20(25)23-15-17-6-4-3-5-7-17/h3-11,19H,2,12-15,22H2,1H3,(H,23,25)
InChIKeyMIRUMMGBTSPIMY-UHFFFAOYSA-N
XLogP2.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214684
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133215178
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132705678
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213822
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
(2R)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822956
3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
CID 54855366
(2S)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822955

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide?
The IUPAC name of 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide (CID 70138919) is 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide.
What is the SMILES notation for 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide?
The canonical SMILES for 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide is CCN(CCc1ccc(Cl)cc1)C(CN)C(=O)NCc1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide?
The InChIKey is MIRUMMGBTSPIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-2-24(13-12-16-8-10-18(21)11-9-16)19(14-22)20(25)23-15-17-6-4-3-5-7-17/h3-11,19H,2,12-15,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide?
3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide has a molecular weight of 359.90 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-2-[2-(4-chlorophenyl)ethyl-ethylamino]propanamide is sourced from PubChem (CID 70138919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).