(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide

C22H30N2O3 — CID 166025500

IUPAC(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide
SMILESCc1cc(O)ccc1C[C@@H](CNC(=O)C[C@@H](c1ccoc1)C1CC1)N(C)C
InChIInChI=1S/C22H30N2O3/c1-15-10-20(25)7-6-17(15)11-19(24(2)3)13-23-22(26)12-21(16-4-5-16)18-8-9-27-14-18/h6-10,14,16,19,21,25H,4-5,11-13H2,1-3H3,(H,23,26)/t19-,21+/m0/s1
InChIKeyFBOCJYJNYNKDOB-PZJWPPBQSA-N
MW370.49 g/mol
LogP3.47
Rot. Bonds9

About (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide

(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide (PubChem CID 166025500) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide
PubChem CID166025500
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide
SMILESCc1cc(O)ccc1C[C@@H](CNC(=O)C[C@@H](c1ccoc1)C1CC1)N(C)C
InChIInChI=1S/C22H30N2O3/c1-15-10-20(25)7-6-17(15)11-19(24(2)3)13-23-22(26)12-21(16-4-5-16)18-8-9-27-14-18/h6-10,14,16,19,21,25H,4-5,11-13H2,1-3H3,(H,23,26)/t19-,21+/m0/s1
InChIKeyFBOCJYJNYNKDOB-PZJWPPBQSA-N
XLogP3.47
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide?
The IUPAC name of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide (CID 166025500) is (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide.
What is the SMILES notation for (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide?
The canonical SMILES for (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide is Cc1cc(O)ccc1C[C@@H](CNC(=O)C[C@@H](c1ccoc1)C1CC1)N(C)C.
What is the InChIKey of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide?
The InChIKey is FBOCJYJNYNKDOB-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-15-10-20(25)7-6-17(15)11-19(24(2)3)13-23-22(26)12-21(16-4-5-16)18-8-9-27-14-18/h6-10,14,16,19,21,25H,4-5,11-13H2,1-3H3,(H,23,26)/t19-,21+/m0/s1.
What are the key properties of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide?
(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide has a molecular weight of 370.49 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]-3-(furan-3-yl)propanamide is sourced from PubChem (CID 166025500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).