tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate

C24H29FN2O3 — CID 60557886

IUPACtert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)C1CC1c1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H29FN2O3/c1-5-27(23(29)30-24(2,3)4)15-17-8-6-7-9-21(17)26-22(28)20-14-19(20)16-10-12-18(25)13-11-16/h6-13,19-20H,5,14-15H2,1-4H3,(H,26,28)
InChIKeyLWYPFUQWQCOGOX-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.32
Rot. Bonds6

About tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate

tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate (PubChem CID 60557886) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate
PubChem CID60557886
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Nametert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)C1CC1c1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H29FN2O3/c1-5-27(23(29)30-24(2,3)4)15-17-8-6-7-9-21(17)26-22(28)20-14-19(20)16-10-12-18(25)13-11-16/h6-13,19-20H,5,14-15H2,1-4H3,(H,26,28)
InChIKeyLWYPFUQWQCOGOX-UHFFFAOYSA-N
XLogP5.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
CID 47034144
tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 55700706
tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate
CID 55700391
tert-butyl N-ethyl-N-[[2-(2-methylsulfanylpropanoylamino)phenyl]methyl]carbamate
CID 55973003
tert-butyl N-[[2-(3-aminopropylamino)phenyl]methyl]-N-ethylcarbamate
CID 107242573
tert-butyl N-ethyl-N-[[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]phenyl]methyl]carbamate
CID 55972361
tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 55700705
tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate
CID 107242570
tert-butyl N-[[2-[(5-bromothiophene-3-carbonyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 60557887
tert-butyl N-[[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-ethylcarbamate
CID 55972748
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
tert-butyl N-ethyl-N-[[2-(3-thiophen-3-ylpropanoylamino)phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate (CID 60557886) is tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate is CCN(Cc1ccccc1NC(=O)C1CC1c1ccc(F)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate?
The InChIKey is LWYPFUQWQCOGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-5-27(23(29)30-24(2,3)4)15-17-8-6-7-9-21(17)26-22(28)20-14-19(20)16-10-12-18(25)13-11-16/h6-13,19-20H,5,14-15H2,1-4H3,(H,26,28).
What are the key properties of tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate?
tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate has a molecular weight of 412.51 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 60557886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).