N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide

C28H33N3O5 — CID 58492110

About N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide (PubChem CID 58492110) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide
• PubChem CID: 58492110
• Molecular Formula: C28H33N3O5
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.24
• IUPAC Name: N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide
• SMILES: CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)CC(C(=O)N2CCOCC2)=C3)o1)C1CCCCC1
• InChI: InChI=1S/C28H33N3O5/c1-29-27(33)25(18-5-3-2-4-6-18)30-26(32)24-10-9-23(36-24)20-8-7-19-15-22(17-21(19)16-20)28(34)31-11-13-35-14-12-31/h7-10,15-16,18,25H,2-6,11-14,17H2,1H3,(H,29,33)(H,30,32)/t25-/m0/s1
• InChIKey: STNCOFKJVKMFQD-VWLOTQADSA-N
• XLogP: 3.17
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide?

The IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide (CID 58492110) is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide?

The canonical SMILES for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)CC(C(=O)N2CCOCC2)=C3)o1)C1CCCCC1.

What is the InChIKey of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide?

The InChIKey is STNCOFKJVKMFQD-VWLOTQADSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-29-27(33)25(18-5-3-2-4-6-18)30-26(32)24-10-9-23(36-24)20-8-7-19-15-22(17-21(19)16-20)28(34)31-11-13-35-14-12-31/h7-10,15-16,18,25H,2-6,11-14,17H2,1H3,(H,29,33)(H,30,32)/t25-/m0/s1.

What are the key properties of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide?

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide is sourced from PubChem (CID 58492110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).