1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide

About 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide

1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide (PubChem CID 3594528) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name	1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide
PubChem CID	3594528
Molecular Formula	C27H40N2O2
Molecular Weight	424.63 g/mol
Exact Mass	424.31
IUPAC Name	1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide
SMILES	CCOCCCn1c(-c2cc3c(cc2CC)C(C)(C)CCC3(C)C)cc(C(N)=O)c1C
InChI	InChI=1S/C27H40N2O2/c1-8-19-15-22-23(27(6,7)12-11-26(22,4)5)16-21(19)24-17-20(25(28)30)18(3)29(24)13-10-14-31-9-2/h15-17H,8-14H2,1-7H3,(H2,28,30)
InChIKey	YNJKNRAHWNHIBW-UHFFFAOYSA-N
XLogP	5.90
TPSA	57.25 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.63
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide?

The IUPAC name of 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide (CID 3594528) is 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide.

What is the SMILES notation for 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide?

The canonical SMILES for 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide is CCOCCCn1c(-c2cc3c(cc2CC)C(C)(C)CCC3(C)C)cc(C(N)=O)c1C.

What is the InChIKey of 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide?

The InChIKey is YNJKNRAHWNHIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2/c1-8-19-15-22-23(27(6,7)12-11-26(22,4)5)16-21(19)24-17-20(25(28)30)18(3)29(24)13-10-14-31-9-2/h15-17H,8-14H2,1-7H3,(H2,28,30).

What are the key properties of 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide?

1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide has a molecular weight of 424.63 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxypropyl)-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3594528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).