3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one

C18H23NO2 — CID 46231451

IUPAC3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one
SMILESCC(C)(C)N(CCC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-18(2,3)19(14-15-8-5-4-6-9-15)12-11-16(20)17-10-7-13-21-17/h4-10,13H,11-12,14H2,1-3H3
InChIKeyOOYDSKGYUSHGQQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.15
Rot. Bonds6

About 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one

3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one (PubChem CID 46231451) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one
PubChem CID46231451
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one
SMILESCC(C)(C)N(CCC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-18(2,3)19(14-15-8-5-4-6-9-15)12-11-16(20)17-10-7-13-21-17/h4-10,13H,11-12,14H2,1-3H3
InChIKeyOOYDSKGYUSHGQQ-UHFFFAOYSA-N
XLogP4.15
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-)-threo-N-(3-Methylfuran)methylphenidate
CID 52942853
1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-(2-furoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2909905
3-[Benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one
CID 46231399
3-[Benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one
CID 46231452
3-[Benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232327
N-ethyl-N-(furan-3-ylmethyl)-2-(4-methylphenoxy)acetamide
CID 67511822
5-(3-(allyloxy)phenyl)-1-(2-(diethylamino)ethyl)-4-(furan-2-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-one
CID 662081
1-[3-(Diethylamino)propyl]-4-(2-furylcarbonyl)-3-hydroxy-5-(4-prop-2-enyloxyph enyl)-3-pyrrolin-2-one
CID 662148
2-[Benzyl(methyl)amino]ethyl 2-furoate
CID 805821
4-(furan-2-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2918125
1-[(2S)-2-(furan-2-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 44423978
2-(Methyl(phenylmethyl)amino)ethyl (2E)-3-(2-furanyl)-2-propenoate
CID 1816829

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one (CID 46231451) is 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one is CC(C)(C)N(CCC(=O)c1ccco1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one?
The InChIKey is OOYDSKGYUSHGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,3)19(14-15-8-5-4-6-9-15)12-11-16(20)17-10-7-13-21-17/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one?
3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one has a molecular weight of 285.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 46231451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).