(2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide

C22H34N2O3 — CID 147318580

About (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide

(2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide (PubChem CID 147318580) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide
• PubChem CID: 147318580
• Molecular Formula: C22H34N2O3
• Molecular Weight: 374.53 g/mol
• Exact Mass: 374.26
• IUPAC Name: (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide
• SMILES: COc1ccc(CC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(NC(=O)[C@@H](C)N)c1
• InChI: InChI=1S/C22H34N2O3/c1-13(2)18-9-6-14(3)10-19(18)21(25)11-16-7-8-17(27-5)12-20(16)24-22(26)15(4)23/h7-8,12-15,18-19H,6,9-11,23H2,1-5H3,(H,24,26)/t14-,15-,18+,19-/m1/s1
• InChIKey: CZIVMAZHNNUAOB-VVWQDTPRSA-N
• XLogP: 3.80
• TPSA: 81.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide?

The IUPAC name of (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide (CID 147318580) is (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide.

What is the SMILES notation for (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide?

The canonical SMILES for (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide is COc1ccc(CC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(NC(=O)[C@@H](C)N)c1.

What is the InChIKey of (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide?

The InChIKey is CZIVMAZHNNUAOB-VVWQDTPRSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-13(2)18-9-6-14(3)10-19(18)21(25)11-16-7-8-17(27-5)12-20(16)24-22(26)15(4)23/h7-8,12-15,18-19H,6,9-11,23H2,1-5H3,(H,24,26)/t14-,15-,18+,19-/m1/s1.

What are the key properties of (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide?

(2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 147318580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).