2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide

C16H23NO4 — CID 43112243

IUPAC2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
SMILESCOc1cc(C=O)ccc1OC(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H23NO4/c1-11(2)7-8-17-16(19)12(3)21-14-6-5-13(10-18)9-15(14)20-4/h5-6,9-12H,7-8H2,1-4H3,(H,17,19)
InChIKeyYJUZDHKRHISWJO-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.44
Rot. Bonds8

About 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide

2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide (PubChem CID 43112243) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
PubChem CID43112243
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
SMILESCOc1cc(C=O)ccc1OC(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H23NO4/c1-11(2)7-8-17-16(19)12(3)21-14-6-5-13(10-18)9-15(14)20-4/h5-6,9-12H,7-8H2,1-4H3,(H,17,19)
InChIKeyYJUZDHKRHISWJO-UHFFFAOYSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43112242
2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 43086535
2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085549
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43084736
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 61267937
(2S)-N-(4-bromophenyl)-2-(4-formyl-2-methoxyphenoxy)propanamide
CID 7894186
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 2677238
(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
CID 135271655

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide (CID 43112243) is 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide is COc1cc(C=O)ccc1OC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The InChIKey is YJUZDHKRHISWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)7-8-17-16(19)12(3)21-14-6-5-13(10-18)9-15(14)20-4/h5-6,9-12H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide has a molecular weight of 293.36 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43112243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).