N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide

C17H25ClN2O2 — CID 108542578

IUPACN-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-3-14(4-2)17(22)20-12-11-19-16(21)10-7-13-5-8-15(18)9-6-13/h5-6,8-9,14H,3-4,7,10-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyICPWQMNNVLVFNW-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.94
Rot. Bonds9

About N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide

N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide (PubChem CID 108542578) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
PubChem CID108542578
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-3-14(4-2)17(22)20-12-11-19-16(21)10-7-13-5-8-15(18)9-6-13/h5-6,8-9,14H,3-4,7,10-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyICPWQMNNVLVFNW-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide
CID 108542872
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540157
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide
CID 142490411
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide (CID 108542578) is N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCNC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide?
The InChIKey is ICPWQMNNVLVFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-3-14(4-2)17(22)20-12-11-19-16(21)10-7-13-5-8-15(18)9-6-13/h5-6,8-9,14H,3-4,7,10-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide?
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide has a molecular weight of 324.85 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 108542578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).