N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide

C15H20Cl2N2O2 — CID 113057117

IUPACN-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C15H20Cl2N2O2/c1-3-15(21)18-7-9-19(11(2)20)8-6-12-4-5-13(16)10-14(12)17/h4-5,10H,3,6-9H2,1-2H3,(H,18,21)
InChIKeyUFMWAGLQGKOXMQ-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.91
Rot. Bonds7

About N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide

N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide (PubChem CID 113057117) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
PubChem CID113057117
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C15H20Cl2N2O2/c1-3-15(21)18-7-9-19(11(2)20)8-6-12-4-5-13(16)10-14(12)17/h4-5,10H,3,6-9H2,1-2H3,(H,18,21)
InChIKeyUFMWAGLQGKOXMQ-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113167057
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113123311
N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113052412
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
CID 113123314
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113160075
N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
CID 109006595
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113053174
1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea
CID 113068413
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
CID 113141414
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide
CID 113056238
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide?
The IUPAC name of N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide (CID 113057117) is N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide?
The canonical SMILES for N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide is CCC(=O)NCCN(CCc1ccc(Cl)cc1Cl)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide?
The InChIKey is UFMWAGLQGKOXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-3-15(21)18-7-9-19(11(2)20)8-6-12-4-5-13(16)10-14(12)17/h4-5,10H,3,6-9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide?
N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide has a molecular weight of 331.24 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide is sourced from PubChem (CID 113057117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).