(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

C23H31N3O2 — CID 165404885

About (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (PubChem CID 165404885) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

• Compound Name: (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
• PubChem CID: 165404885
• Molecular Formula: C23H31N3O2
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.24
• IUPAC Name: (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
• SMILES: CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C)CC1)Cc1ccc(O)cc1
• InChI: InChI=1S/C23H31N3O2/c1-23(10-11-23)21(18-5-4-12-24-15-18)14-22(28)25-16-19(26(2)3)13-17-6-8-20(27)9-7-17/h4-9,12,15,19,21,27H,10-11,13-14,16H2,1-3H3,(H,25,28)/t19-,21+/m0/s1
• InChIKey: QOJHFVMTQFXRDK-PZJWPPBQSA-N
• XLogP: 3.35
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?

The IUPAC name of (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (CID 165404885) is (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.

What is the SMILES notation for (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?

The canonical SMILES for (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C)CC1)Cc1ccc(O)cc1.

What is the InChIKey of (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?

The InChIKey is QOJHFVMTQFXRDK-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(10-11-23)21(18-5-4-12-24-15-18)14-22(28)25-16-19(26(2)3)13-17-6-8-20(27)9-7-17/h4-9,12,15,19,21,27H,10-11,13-14,16H2,1-3H3,(H,25,28)/t19-,21+/m0/s1.

What are the key properties of (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?

(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide has a molecular weight of 381.52 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 165404885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).