trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide

C24H33NO3 — CID 100762995

About trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide

trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide (PubChem CID 100762995) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
• PubChem CID: 100762995
• Molecular Formula: C24H33NO3
• Molecular Weight: 383.53 g/mol
• Exact Mass: 383.25
• IUPAC Name: trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
• SMILES: CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCC[C@H](C)C1
• InChI: InChI=1S/C24H33NO3/c1-5-28-24(14-8-9-18(4)15-24)23(26)25-21-12-13-22(27-16-17(2)3)20-11-7-6-10-19(20)21/h6-7,10-13,17-18H,5,8-9,14-16H2,1-4H3,(H,25,26)/t18-,24+/m0/s1
• InChIKey: UBWVHZQETXNBLI-MHECFPHRSA-N
• XLogP: 5.80
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.53
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide?

The IUPAC name of trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide (CID 100762995) is trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide.

What is the SMILES notation for trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide?

The canonical SMILES for trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide is CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCC[C@H](C)C1.

What is the InChIKey of trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide?

The InChIKey is UBWVHZQETXNBLI-MHECFPHRSA-N. The full InChI is InChI=1S/C24H33NO3/c1-5-28-24(14-8-9-18(4)15-24)23(26)25-21-12-13-22(27-16-17(2)3)20-11-7-6-10-19(20)21/h6-7,10-13,17-18H,5,8-9,14-16H2,1-4H3,(H,25,26)/t18-,24+/m0/s1.

What are the key properties of trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide?

trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide has a molecular weight of 383.53 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100762995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).