2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide

C16H23Cl2N3O2 — CID 51962492

IUPAC2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NCC)[C@@H](C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2N3O2/c1-4-8-21(10-15(22)20-16(23)19-5-2)11(3)12-6-7-13(17)14(18)9-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,22,23)/t11-/m0/s1
InChIKeyKWAWJQZPNMVHEB-NSHDSACASA-N
MW360.29 g/mol
LogP3.61
Rot. Bonds7

About 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide

2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide (PubChem CID 51962492) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide
PubChem CID51962492
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NCC)[C@@H](C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2N3O2/c1-4-8-21(10-15(22)20-16(23)19-5-2)11(3)12-6-7-13(17)14(18)9-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,22,23)/t11-/m0/s1
InChIKeyKWAWJQZPNMVHEB-NSHDSACASA-N
XLogP3.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide (CID 51962492) is 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide is CCCN(CC(=O)NC(=O)NCC)[C@@H](C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is KWAWJQZPNMVHEB-NSHDSACASA-N. The full InChI is InChI=1S/C16H23Cl2N3O2/c1-4-8-21(10-15(22)20-16(23)19-5-2)11(3)12-6-7-13(17)14(18)9-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,22,23)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide?
2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 360.29 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]-propylamino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 51962492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).