3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C26H35N3O2 — CID 7296289

About 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 7296289) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

• Compound Name: 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• PubChem CID: 7296289
• Molecular Formula: C26H35N3O2
• Molecular Weight: 421.59 g/mol
• Exact Mass: 421.27
• IUPAC Name: 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• SMILES: CCc1ccc(NC(=O)N(CCC(=O)N[C@@H]2CCCc3ccccc32)[C@H](C)CC)cc1
• InChI: InChI=1S/C26H35N3O2/c1-4-19(3)29(26(31)27-22-15-13-20(5-2)14-16-22)18-17-25(30)28-24-12-8-10-21-9-6-7-11-23(21)24/h6-7,9,11,13-16,19,24H,4-5,8,10,12,17-18H2,1-3H3,(H,27,31)(H,28,30)/t19-,24-/m1/s1
• InChIKey: CXCWHQBVHIGKGE-NTKDMRAZSA-N
• XLogP: 5.47
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.59
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The IUPAC name of 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 7296289) is 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

What is the SMILES notation for 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The canonical SMILES for 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CCc1ccc(NC(=O)N(CCC(=O)N[C@@H]2CCCc3ccccc32)[C@H](C)CC)cc1.

What is the InChIKey of 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The InChIKey is CXCWHQBVHIGKGE-NTKDMRAZSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-4-19(3)29(26(31)27-22-15-13-20(5-2)14-16-22)18-17-25(30)28-24-12-8-10-21-9-6-7-11-23(21)24/h6-7,9,11,13-16,19,24H,4-5,8,10,12,17-18H2,1-3H3,(H,27,31)(H,28,30)/t19-,24-/m1/s1.

What are the key properties of 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 421.59 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 7296289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).