N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide

C18H23NO2 — CID 134025956

IUPACN-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C18H23NO2/c1-5-13(2)19(12-16-9-7-6-8-10-16)18(20)17-11-14(3)21-15(17)4/h6-11,13H,5,12H2,1-4H3
InChIKeyVPTKFKAIQQQQSH-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.34
Rot. Bonds5

About N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide

N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide (PubChem CID 134025956) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide
PubChem CID134025956
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C18H23NO2/c1-5-13(2)19(12-16-9-7-6-8-10-16)18(20)17-11-14(3)21-15(17)4/h6-11,13H,5,12H2,1-4H3
InChIKeyVPTKFKAIQQQQSH-UHFFFAOYSA-N
XLogP4.34
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-butan-2-yl-2,6-dimethylpyridine-3-carboxamide
CID 55875368
N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
CID 112810487
N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
CID 7417691
N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide
CID 63998851
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 8833901
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80666211
[4-[[butan-2-yl-(2-methylbenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 3282352
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide (CID 134025956) is N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VPTKFKAIQQQQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-13(2)19(12-16-9-7-6-8-10-16)18(20)17-11-14(3)21-15(17)4/h6-11,13H,5,12H2,1-4H3.
What are the key properties of N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide?
N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 134025956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).