N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide

C27H36FNO3 — CID 40927130

About N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide

N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide (PubChem CID 40927130) has the molecular formula C27H36FNO3 and a molecular weight of 441.59 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
• PubChem CID: 40927130
• Molecular Formula: C27H36FNO3
• Molecular Weight: 441.59 g/mol
• Exact Mass: 441.27
• IUPAC Name: N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
• SMILES: CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccccc1F
• InChI: InChI=1S/C27H36FNO3/c1-5-26(30)29(19-21-10-6-8-12-23(21)28)16-14-27(15-17-32-25(18-27)20(2)3)22-11-7-9-13-24(22)31-4/h6-13,20,25H,5,14-19H2,1-4H3/t25-,27+/m1/s1
• InChIKey: NSCNRUHMLAWIIP-VPUSJEBWSA-N
• XLogP: 5.74
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.59
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide?

The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide (CID 40927130) is N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide is CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccccc1F.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide?

The InChIKey is NSCNRUHMLAWIIP-VPUSJEBWSA-N. The full InChI is InChI=1S/C27H36FNO3/c1-5-26(30)29(19-21-10-6-8-12-23(21)28)16-14-27(15-17-32-25(18-27)20(2)3)22-11-7-9-13-24(22)31-4/h6-13,20,25H,5,14-19H2,1-4H3/t25-,27+/m1/s1.

What are the key properties of N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide?

N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide has a molecular weight of 441.59 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide is sourced from PubChem (CID 40927130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).