N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide

C15H21NO3 — CID 82156208

IUPACN-(5-formyl-2-propoxyphenyl)-3-methylbutanamide
SMILESCCCOc1ccc(C=O)cc1NC(=O)CC(C)C
InChIInChI=1S/C15H21NO3/c1-4-7-19-14-6-5-12(10-17)9-13(14)16-15(18)8-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyAGRIDHGQAAQINV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.27
Rot. Bonds7

About N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide

N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide (PubChem CID 82156208) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-formyl-2-propoxyphenyl)-3-methylbutanamide
PubChem CID82156208
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(5-formyl-2-propoxyphenyl)-3-methylbutanamide
SMILESCCCOc1ccc(C=O)cc1NC(=O)CC(C)C
InChIInChI=1S/C15H21NO3/c1-4-7-19-14-6-5-12(10-17)9-13(14)16-15(18)8-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyAGRIDHGQAAQINV-UHFFFAOYSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide
CID 94763034
N-(4-formyl-2-methylphenyl)-3-methylbutanamide
CID 143315991
3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide
CID 94763029
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide
CID 82156146
N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide
CID 82156296
2-bromo-N-(5-formyl-2-methoxyphenyl)acetamide
CID 169448896
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide
CID 82156253
N-(2-ethoxy-5-formylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 82156185
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide (CID 82156208) is N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide is CCCOc1ccc(C=O)cc1NC(=O)CC(C)C.
What is the InChIKey of N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide?
The InChIKey is AGRIDHGQAAQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-7-19-14-6-5-12(10-17)9-13(14)16-15(18)8-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide?
N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 82156208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).