4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide

C23H23NO3 — CID 58111716

IUPAC4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide
SMILESCC1=C(C=O)CCc2cc(NC(=O)c3ccc(OCC4CC4)cc3)ccc21
InChIInChI=1S/C23H23NO3/c1-15-19(13-25)5-4-18-12-20(8-11-22(15)18)24-23(26)17-6-9-21(10-7-17)27-14-16-2-3-16/h6-13,16H,2-5,14H2,1H3,(H,24,26)
InChIKeyWLWPQSAMQSKGRD-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.65
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide

4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide (PubChem CID 58111716) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide
PubChem CID58111716
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide
SMILESCC1=C(C=O)CCc2cc(NC(=O)c3ccc(OCC4CC4)cc3)ccc21
InChIInChI=1S/C23H23NO3/c1-15-19(13-25)5-4-18-12-20(8-11-22(15)18)24-23(26)17-6-9-21(10-7-17)27-14-16-2-3-16/h6-13,16H,2-5,14H2,1H3,(H,24,26)
InChIKeyWLWPQSAMQSKGRD-UHFFFAOYSA-N
XLogP4.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide (CID 58111716) is 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide is CC1=C(C=O)CCc2cc(NC(=O)c3ccc(OCC4CC4)cc3)ccc21.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide?
The InChIKey is WLWPQSAMQSKGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-15-19(13-25)5-4-18-12-20(8-11-22(15)18)24-23(26)17-6-9-21(10-7-17)27-14-16-2-3-16/h6-13,16H,2-5,14H2,1H3,(H,24,26).
What are the key properties of 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide?
4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide has a molecular weight of 361.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 58111716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).