N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide

C15H19NO5 — CID 62627393

IUPACN-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
SMILESCOc1cc(C=O)cc(OC)c1OCCC(=O)NC1CC1
InChIInChI=1S/C15H19NO5/c1-19-12-7-10(9-17)8-13(20-2)15(12)21-6-5-14(18)16-11-3-4-11/h7-9,11H,3-6H2,1-2H3,(H,16,18)
InChIKeyCMBQVPMZYZQOCO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.56
Rot. Bonds8

About N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide

N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide (PubChem CID 62627393) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
PubChem CID62627393
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
SMILESCOc1cc(C=O)cc(OC)c1OCCC(=O)NC1CC1
InChIInChI=1S/C15H19NO5/c1-19-12-7-10(9-17)8-13(20-2)15(12)21-6-5-14(18)16-11-3-4-11/h7-9,11H,3-6H2,1-2H3,(H,16,18)
InChIKeyCMBQVPMZYZQOCO-UHFFFAOYSA-N
XLogP1.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62627586
N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
CID 55098349
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
CID 62326853
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62628137
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 62625897
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide
CID 62627392
N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
CID 43516597
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959
N-cyclopropyl-4-[2-(2-methoxyphenoxy)ethylamino]butanamide
CID 79379590
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112620994

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide?
The IUPAC name of N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide (CID 62627393) is N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide is COc1cc(C=O)cc(OC)c1OCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide?
The InChIKey is CMBQVPMZYZQOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-12-7-10(9-17)8-13(20-2)15(12)21-6-5-14(18)16-11-3-4-11/h7-9,11H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide?
N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide has a molecular weight of 293.32 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide is sourced from PubChem (CID 62627393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).