N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide

C30H45N3O5 — CID 3949577

About N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide (PubChem CID 3949577) has the molecular formula C30H45N3O5 and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
• PubChem CID: 3949577
• Molecular Formula: C30H45N3O5
• Molecular Weight: 527.71 g/mol
• Exact Mass: 527.34
• IUPAC Name: N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
• SMILES: O=C(CN(CCCN1CCOCC1)C(=O)C12CC3CC(CC(C3)C1)C2)N(Cc1ccco1)CC1CCCO1
• InChI: InChI=1S/C30H45N3O5/c34-28(33(20-26-4-1-10-37-26)21-27-5-2-11-38-27)22-32(7-3-6-31-8-12-36-13-9-31)29(35)30-17-23-14-24(18-30)16-25(15-23)19-30/h1,4,10,23-25,27H,2-3,5-9,11-22H2
• InChIKey: RJELFSUSFMGJFZ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 75.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.71
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?

The IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide (CID 3949577) is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide.

What is the SMILES notation for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?

The canonical SMILES for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide is O=C(CN(CCCN1CCOCC1)C(=O)C12CC3CC(CC(C3)C1)C2)N(Cc1ccco1)CC1CCCO1.

What is the InChIKey of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?

The InChIKey is RJELFSUSFMGJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O5/c34-28(33(20-26-4-1-10-37-26)21-27-5-2-11-38-27)22-32(7-3-6-31-8-12-36-13-9-31)29(35)30-17-23-14-24(18-30)16-25(15-23)19-30/h1,4,10,23-25,27H,2-3,5-9,11-22H2.

What are the key properties of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide has a molecular weight of 527.71 g/mol, XLogP of 3.55, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 3949577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).