cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate

C22H26FNO4 — CID 174458503

IUPACcyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate
SMILESCC(C)(C)N(CCC(=O)c1ccc(Cc2ccc(F)cc2)o1)C(=O)OC1CC1
InChIInChI=1S/C22H26FNO4/c1-22(2,3)24(21(26)28-17-8-9-17)13-12-19(25)20-11-10-18(27-20)14-15-4-6-16(23)7-5-15/h4-7,10-11,17H,8-9,12-14H2,1-3H3
InChIKeyLPQMZQUAQVPFIH-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.98
Rot. Bonds7

About cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate

cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate (PubChem CID 174458503) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate
PubChem CID174458503
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Namecyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate
SMILESCC(C)(C)N(CCC(=O)c1ccc(Cc2ccc(F)cc2)o1)C(=O)OC1CC1
InChIInChI=1S/C22H26FNO4/c1-22(2,3)24(21(26)28-17-8-9-17)13-12-19(25)20-11-10-18(27-20)14-15-4-6-16(23)7-5-15/h4-7,10-11,17H,8-9,12-14H2,1-3H3
InChIKeyLPQMZQUAQVPFIH-UHFFFAOYSA-N
XLogP4.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl] N-tert-butyl-N-(2-methoxyethyl)carbamate
CID 174639042
1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one
CID 141277071
cyclopropyl N-tert-butyl-N-[2-(4-nitrophenyl)ethyl]carbamate
CID 174498668
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2,4-dioxobutanoic acid
CID 91404110
methyl (Z)-4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoate
CID 22209624
CID 90986043
CID 90986043
tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid
CID 118692225
6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide
CID 42793784
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-3,4-dihydro-2H-pyrrole-5-carbaldehyde
CID 174458535
cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate
CID 175087210
3-[tert-butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 54925531
3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119190923

Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate?
The IUPAC name of cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate (CID 174458503) is cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate?
The canonical SMILES for cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate is CC(C)(C)N(CCC(=O)c1ccc(Cc2ccc(F)cc2)o1)C(=O)OC1CC1.
What is the InChIKey of cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate?
The InChIKey is LPQMZQUAQVPFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-22(2,3)24(21(26)28-17-8-9-17)13-12-19(25)20-11-10-18(27-20)14-15-4-6-16(23)7-5-15/h4-7,10-11,17H,8-9,12-14H2,1-3H3.
What are the key properties of cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate?
cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate has a molecular weight of 387.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 174458503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).