N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C21H29N3O4 — CID 55914707

IUPACN-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC)CCOc1ccc(NC(=O)CNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C21H29N3O4/c1-5-24(6-2)11-12-27-18-9-7-17(8-10-18)23-20(25)14-22-21(26)19-13-15(3)28-16(19)4/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyDYEBEIAMULPPEQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.99
Rot. Bonds10

About N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55914707) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55914707
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC)CCOc1ccc(NC(=O)CNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C21H29N3O4/c1-5-24(6-2)11-12-27-18-9-7-17(8-10-18)23-20(25)14-22-21(26)19-13-15(3)28-16(19)4/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyDYEBEIAMULPPEQ-UHFFFAOYSA-N
XLogP2.99
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide
CID 55548156
N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55873980
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
CID 48500676
2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
CID 86822812
2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide
CID 55888356
2,5-dimethyl-N-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 55876090
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430502
N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 51122290
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 26662426
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 27762316
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 55914707) is N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is CCN(CC)CCOc1ccc(NC(=O)CNC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DYEBEIAMULPPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-5-24(6-2)11-12-27-18-9-7-17(8-10-18)23-20(25)14-22-21(26)19-13-15(3)28-16(19)4/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55914707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).