N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide

C18H19NO4 — CID 94763058

IUPACN-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C=O)ccc1OC(C)C
InChIInChI=1S/C18H19NO4/c1-12(2)23-17-9-8-13(11-20)10-15(17)19-18(21)14-6-4-5-7-16(14)22-3/h4-12H,1-3H3,(H,19,21)
InChIKeyAFOOENSURPEDJD-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.55
Rot. Bonds6

About N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide

N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide (PubChem CID 94763058) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide
PubChem CID94763058
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C=O)ccc1OC(C)C
InChIInChI=1S/C18H19NO4/c1-12(2)23-17-9-8-13(11-20)10-15(17)19-18(21)14-6-4-5-7-16(14)22-3/h4-12H,1-3H3,(H,19,21)
InChIKeyAFOOENSURPEDJD-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide?
The IUPAC name of N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide (CID 94763058) is N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide?
The canonical SMILES for N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(C=O)ccc1OC(C)C.
What is the InChIKey of N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide?
The InChIKey is AFOOENSURPEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(2)23-17-9-8-13(11-20)10-15(17)19-18(21)14-6-4-5-7-16(14)22-3/h4-12H,1-3H3,(H,19,21).
What are the key properties of N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide?
N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide has a molecular weight of 313.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide is sourced from PubChem (CID 94763058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).