2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide

C17H24Cl2N2O2 — CID 132654097

IUPAC2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1Cl)C(CC)C(=O)NCC
InChIInChI=1S/C17H24Cl2N2O2/c1-4-7-16(22)21(15(5-2)17(23)20-6-3)11-12-8-9-13(18)10-14(12)19/h8-10,15H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyPZLWOQSIHSEJJH-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.04
Rot. Bonds8

About 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide

2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide (PubChem CID 132654097) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide
PubChem CID132654097
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1Cl)C(CC)C(=O)NCC
InChIInChI=1S/C17H24Cl2N2O2/c1-4-7-16(22)21(15(5-2)17(23)20-6-3)11-12-8-9-13(18)10-14(12)19/h8-10,15H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyPZLWOQSIHSEJJH-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 132656059
2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-butan-2-ylbutanamide
CID 132703691
2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132678082
2-[3-benzylsulfanylpropanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132676942
(2S)-2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100583952
(2R)-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100589316
N-[(2,4-dichlorophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 132654104
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 100583518
2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 132670432
(2S)-2-[(2,4-dichlorophenyl)methyl-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylbutanamide
CID 100589390
N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 100688490
N-[(2,4-dichlorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 132763991

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide?
The IUPAC name of 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide (CID 132654097) is 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide?
The canonical SMILES for 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide is CCCC(=O)N(Cc1ccc(Cl)cc1Cl)C(CC)C(=O)NCC.
What is the InChIKey of 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide?
The InChIKey is PZLWOQSIHSEJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-4-7-16(22)21(15(5-2)17(23)20-6-3)11-12-8-9-13(18)10-14(12)19/h8-10,15H,4-7,11H2,1-3H3,(H,20,23).
What are the key properties of 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide?
2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide has a molecular weight of 359.30 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 132654097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).