N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide

C16H25ClN2O — CID 12911

IUPACN-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide
SMILESCCc1ccc(Cl)c(NC(=O)CC(C)N(CC)CC)c1
InChIInChI=1S/C16H25ClN2O/c1-5-13-8-9-14(17)15(11-13)18-16(20)10-12(4)19(6-2)7-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyIETBISPYGKKRIE-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.96
Rot. Bonds7

About N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide

N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide (PubChem CID 12911) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide.

Molecular Properties

Compound NameN-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide
PubChem CID12911
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide
SMILESCCc1ccc(Cl)c(NC(=O)CC(C)N(CC)CC)c1
InChIInChI=1S/C16H25ClN2O/c1-5-13-8-9-14(17)15(11-13)18-16(20)10-12(4)19(6-2)7-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyIETBISPYGKKRIE-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide?
The IUPAC name of N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide (CID 12911) is N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide.
What is the SMILES notation for N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide?
The canonical SMILES for N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide is CCc1ccc(Cl)c(NC(=O)CC(C)N(CC)CC)c1.
What is the InChIKey of N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide?
The InChIKey is IETBISPYGKKRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-13-8-9-14(17)15(11-13)18-16(20)10-12(4)19(6-2)7-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,20).
What are the key properties of N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide?
N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide has a molecular weight of 296.84 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-ethylphenyl)-3-(diethylamino)butanamide is sourced from PubChem (CID 12911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).