N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide

C17H25NO3 — CID 82156416

IUPACN-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide
SMILESCCCOc1ccc(C(C)=O)cc1NC(=O)C(CC)CC
InChIInChI=1S/C17H25NO3/c1-5-10-21-16-9-8-14(12(4)19)11-15(16)18-17(20)13(6-2)7-3/h8-9,11,13H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyQQECBTMBUAXYTA-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.05
Rot. Bonds8

About N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide

N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide (PubChem CID 82156416) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide
PubChem CID82156416
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide
SMILESCCCOc1ccc(C(C)=O)cc1NC(=O)C(CC)CC
InChIInChI=1S/C17H25NO3/c1-5-10-21-16-9-8-14(12(4)19)11-15(16)18-17(20)13(6-2)7-3/h8-9,11,13H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyQQECBTMBUAXYTA-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide
CID 82156414
N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
CID 94763143
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
N-[2-(2-aminoethoxy)phenyl]-2-ethylbutanamide
CID 43369538
N-(5-acetyl-2-propan-2-yloxyphenyl)-2-methylpropanamide
CID 82156387
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351
4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid
CID 110493768
3-benzamido-N-hydroxy-4-propoxybenzamide
CID 127046660
2-(5-acetyl-2-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16557123
N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 141041988
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide?
The IUPAC name of N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide (CID 82156416) is N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide?
The canonical SMILES for N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide is CCCOc1ccc(C(C)=O)cc1NC(=O)C(CC)CC.
What is the InChIKey of N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide?
The InChIKey is QQECBTMBUAXYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-10-21-16-9-8-14(12(4)19)11-15(16)18-17(20)13(6-2)7-3/h8-9,11,13H,5-7,10H2,1-4H3,(H,18,20).
What are the key properties of N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide?
N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide is sourced from PubChem (CID 82156416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).