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

C14H17NO4 — CID 55098349

IUPACN-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2CC2)c(C=O)c1
InChIInChI=1S/C14H17NO4/c1-18-12-4-5-13(10(8-12)9-16)19-7-6-14(17)15-11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyAGLLTLBVUYJVPN-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.56
Rot. Bonds7

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

N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide (PubChem CID 55098349) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
PubChem CID55098349
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2CC2)c(C=O)c1
InChIInChI=1S/C14H17NO4/c1-18-12-4-5-13(10(8-12)9-16)19-7-6-14(17)15-11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyAGLLTLBVUYJVPN-UHFFFAOYSA-N
XLogP1.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.56
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

4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide
CID 43212710
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
CID 62627393
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
2-(2-formyl-4-methoxyphenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8634198
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide?
The IUPAC name of N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide (CID 55098349) is N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)NC2CC2)c(C=O)c1.
What is the InChIKey of N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide?
The InChIKey is AGLLTLBVUYJVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-12-4-5-13(10(8-12)9-16)19-7-6-14(17)15-11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide?
N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide has a molecular weight of 263.29 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide is sourced from PubChem (CID 55098349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).