tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate

C19H26F2N2O4 — CID 175625005

IUPACtert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CNC(=O)c2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C19H26F2N2O4/c1-19(2,3)27-18(26)23-13-6-4-11(5-7-13)10-22-17(25)12-8-14(20)16(24)15(21)9-12/h8-9,11,13,24H,4-7,10H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNOHABZWKUGCSHZ-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.48
Rot. Bonds4

About tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate

tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate (PubChem CID 175625005) has the molecular formula C19H26F2N2O4 and a molecular weight of 384.42 g/mol. Its IUPAC name is tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate
PubChem CID175625005
Molecular FormulaC19H26F2N2O4
Molecular Weight384.42 g/mol
Exact Mass384.19
IUPAC Nametert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CNC(=O)c2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C19H26F2N2O4/c1-19(2,3)27-18(26)23-13-6-4-11(5-7-13)10-22-17(25)12-8-14(20)16(24)15(21)9-12/h8-9,11,13,24H,4-7,10H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNOHABZWKUGCSHZ-UHFFFAOYSA-N
XLogP3.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate
CID 142991783
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[[4-[[(2-chloro-6-methoxypyridine-4-carbonyl)amino]methyl]cyclohexyl]methyl]carbamate
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CID 58962901
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
methyl 3-[methyl-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]amino]-4-(trifluoromethyl)benzoate
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tert-butyl N-[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]carbamate
CID 159288412
methyl 3-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-4-(trifluoromethyl)benzoate
CID 156761235
tert-butyl N-[[4-[[(2-bromopyridine-4-carbonyl)amino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate (CID 175625005) is tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CNC(=O)c2cc(F)c(O)c(F)c2)CC1.
What is the InChIKey of tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate?
The InChIKey is NOHABZWKUGCSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O4/c1-19(2,3)27-18(26)23-13-6-4-11(5-7-13)10-22-17(25)12-8-14(20)16(24)15(21)9-12/h8-9,11,13,24H,4-7,10H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate?
tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate has a molecular weight of 384.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 175625005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).