N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide

C16H26N2O3 — CID 3303521

IUPACN-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC)C(=O)CCN(CC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C16H26N2O3/c1-6-17(7-2)15(19)9-10-18(8-3)16(20)14-11-12(4)21-13(14)5/h11H,6-10H2,1-5H3
InChIKeyBRPOKIQTWIWROL-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.62
Rot. Bonds7

About N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide

N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide (PubChem CID 3303521) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
PubChem CID3303521
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC)C(=O)CCN(CC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C16H26N2O3/c1-6-17(7-2)15(19)9-10-18(8-3)16(20)14-11-12(4)21-13(14)5/h11H,6-10H2,1-5H3
InChIKeyBRPOKIQTWIWROL-UHFFFAOYSA-N
XLogP2.62
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 3591637
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
N-ethyl-2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 816495
N-ethyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3643874
2,5-dimethyl-N,N-bis(2-methylpropyl)furan-3-carboxamide
CID 86978108
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 43459243
N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 42779763
N-butyl-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 3437554
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4197500

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide (CID 3303521) is N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide is CCN(CC)C(=O)CCN(CC)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is BRPOKIQTWIWROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-17(7-2)15(19)9-10-18(8-3)16(20)14-11-12(4)21-13(14)5/h11H,6-10H2,1-5H3.
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide?
N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 3303521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).