cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide

C24H33NO3 — CID 100762964

About cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide

cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide (PubChem CID 100762964) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
• PubChem CID: 100762964
• Molecular Formula: C24H33NO3
• Molecular Weight: 383.53 g/mol
• Exact Mass: 383.25
• IUPAC Name: cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
• SMILES: CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c3ccccc23)CCC[C@@H](C)C1
• InChI: InChI=1S/C24H33NO3/c1-5-18(4)28-22-14-13-21(19-11-7-8-12-20(19)22)25-23(26)24(27-6-2)15-9-10-17(3)16-24/h7-8,11-14,17-18H,5-6,9-10,15-16H2,1-4H3,(H,25,26)/t17-,18+,24-/m1/s1
• InChIKey: QSCIAJSZRURAIL-NXMSCROESA-N
• XLogP: 5.94
• 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	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide?

The IUPAC name of cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide (CID 100762964) is cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide.

What is the SMILES notation for cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide?

The canonical SMILES for cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide is CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c3ccccc23)CCC[C@@H](C)C1.

What is the InChIKey of cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide?

The InChIKey is QSCIAJSZRURAIL-NXMSCROESA-N. The full InChI is InChI=1S/C24H33NO3/c1-5-18(4)28-22-14-13-21(19-11-7-8-12-20(19)22)25-23(26)24(27-6-2)15-9-10-17(3)16-24/h7-8,11-14,17-18H,5-6,9-10,15-16H2,1-4H3,(H,25,26)/t17-,18+,24-/m1/s1.

What are the key properties of cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide?

cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 383.53 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100762964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).