N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide

C17H22N2O4 — CID 4685025

IUPACN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
SMILESCC(C)CN(CCC(=O)NCc1ccco1)C(=O)c1ccoc1
InChIInChI=1S/C17H22N2O4/c1-13(2)11-19(17(21)14-6-9-22-12-14)7-5-16(20)18-10-15-4-3-8-23-15/h3-4,6,8-9,12-13H,5,7,10-11H2,1-2H3,(H,18,20)
InChIKeyBQFUHXHQSWVRGK-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.68
Rot. Bonds8

About N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide

N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide (PubChem CID 4685025) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
PubChem CID4685025
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
SMILESCC(C)CN(CCC(=O)NCc1ccco1)C(=O)c1ccoc1
InChIInChI=1S/C17H22N2O4/c1-13(2)11-19(17(21)14-6-9-22-12-14)7-5-16(20)18-10-15-4-3-8-23-15/h3-4,6,8-9,12-13H,5,7,10-11H2,1-2H3,(H,18,20)
InChIKeyBQFUHXHQSWVRGK-UHFFFAOYSA-N
XLogP2.68
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 7330670
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 4651219
N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 46133910
N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide
CID 42779663
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 4192735
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113133120
N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139093
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide (CID 4685025) is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide is CC(C)CN(CCC(=O)NCc1ccco1)C(=O)c1ccoc1.
What is the InChIKey of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide?
The InChIKey is BQFUHXHQSWVRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-13(2)11-19(17(21)14-6-9-22-12-14)7-5-16(20)18-10-15-4-3-8-23-15/h3-4,6,8-9,12-13H,5,7,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide?
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide is sourced from PubChem (CID 4685025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).