N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide

C24H37N3O4 — CID 5075714

About N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide

N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 5075714) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
• PubChem CID: 5075714
• Molecular Formula: C24H37N3O4
• Molecular Weight: 431.58 g/mol
• Exact Mass: 431.28
• IUPAC Name: N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
• SMILES: CCN(CC)CCCC(C)NC(=O)CCN(Cc1ccco1)C(=O)c1cc(C)oc1C
• InChI: InChI=1S/C24H37N3O4/c1-6-26(7-2)13-8-10-18(3)25-23(28)12-14-27(17-21-11-9-15-30-21)24(29)22-16-19(4)31-20(22)5/h9,11,15-16,18H,6-8,10,12-14,17H2,1-5H3,(H,25,28)
• InChIKey: QMJYDFDFIKORNZ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 78.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?

The IUPAC name of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide (CID 5075714) is N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide.

What is the SMILES notation for N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?

The canonical SMILES for N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide is CCN(CC)CCCC(C)NC(=O)CCN(Cc1ccco1)C(=O)c1cc(C)oc1C.

What is the InChIKey of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?

The InChIKey is QMJYDFDFIKORNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-6-26(7-2)13-8-10-18(3)25-23(28)12-14-27(17-21-11-9-15-30-21)24(29)22-16-19(4)31-20(22)5/h9,11,15-16,18H,6-8,10,12-14,17H2,1-5H3,(H,25,28).

What are the key properties of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?

N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.15, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 5075714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).