2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide

C23H32N2O3 — CID 42779721

IUPAC2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide
SMILESCCCN(CCC(=O)NC(C)CCc1ccccc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C23H32N2O3/c1-5-14-25(23(27)21-16-18(3)28-19(21)4)15-13-22(26)24-17(2)11-12-20-9-7-6-8-10-20/h6-10,16-17H,5,11-15H2,1-4H3,(H,24,26)
InChIKeyNRJQRUVYOZXOIA-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.28
Rot. Bonds10

About 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide

2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide (PubChem CID 42779721) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide
PubChem CID42779721
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide
SMILESCCCN(CCC(=O)NC(C)CCc1ccccc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C23H32N2O3/c1-5-14-25(23(27)21-16-18(3)28-19(21)4)15-13-22(26)24-17(2)11-12-20-9-7-6-8-10-20/h6-10,16-17H,5,11-15H2,1-4H3,(H,24,26)
InChIKeyNRJQRUVYOZXOIA-UHFFFAOYSA-N
XLogP4.28
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 7844475
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 5075714
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
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-(1-phenylethylamino)propyl]furan-3-carboxamide
CID 4115745
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
CID 7225250

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide (CID 42779721) is 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide is CCCN(CCC(=O)NC(C)CCc1ccccc1)C(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide?
The InChIKey is NRJQRUVYOZXOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-5-14-25(23(27)21-16-18(3)28-19(21)4)15-13-22(26)24-17(2)11-12-20-9-7-6-8-10-20/h6-10,16-17H,5,11-15H2,1-4H3,(H,24,26).
What are the key properties of 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide?
2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide is sourced from PubChem (CID 42779721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).