N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide

C20H26N2O3 — CID 42779701

IUPACN-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
SMILESCCCN(CCC(=O)NCc1ccccc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C20H26N2O3/c1-4-11-22(20(24)18-13-15(2)25-16(18)3)12-10-19(23)21-14-17-8-6-5-7-9-17/h5-9,13H,4,10-12,14H2,1-3H3,(H,21,23)
InChIKeyUDLXHIPBLAKXBL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.46
Rot. Bonds8

About N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide

N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide (PubChem CID 42779701) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
PubChem CID42779701
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
SMILESCCCN(CCC(=O)NCc1ccccc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C20H26N2O3/c1-4-11-22(20(24)18-13-15(2)25-16(18)3)12-10-19(23)21-14-17-8-6-5-7-9-17/h5-9,13H,4,10-12,14H2,1-3H3,(H,21,23)
InChIKeyUDLXHIPBLAKXBL-UHFFFAOYSA-N
XLogP3.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide
CID 42779721
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 4148902
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 4181128
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 815268
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
CID 42779751
N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 5127775
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 3488560
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide?
The IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide (CID 42779701) is N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide?
The canonical SMILES for N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide is CCCN(CCC(=O)NCc1ccccc1)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide?
The InChIKey is UDLXHIPBLAKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-11-22(20(24)18-13-15(2)25-16(18)3)12-10-19(23)21-14-17-8-6-5-7-9-17/h5-9,13H,4,10-12,14H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide?
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide is sourced from PubChem (CID 42779701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).