tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate

C21H32N2O3 — CID 24632584

IUPACtert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate
SMILESCCN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c1-5-23(18-9-7-6-8-10-18)19(24)17-13-11-16(12-14-17)15-22-20(25)26-21(2,3)4/h11-14,18H,5-10,15H2,1-4H3,(H,22,25)
InChIKeyKUWCBYINHQEKET-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 24632584) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID24632584
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Nametert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate
SMILESCCN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c1-5-23(18-9-7-6-8-10-18)19(24)17-13-11-16(12-14-17)15-22-20(25)26-21(2,3)4/h11-14,18H,5-10,15H2,1-4H3,(H,22,25)
InChIKeyKUWCBYINHQEKET-UHFFFAOYSA-N
XLogP4.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
diethyl-[[4-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]methyl]phenyl]methyl]azanium
CID 8948701
N-cyclohexyl-N-ethyl-4-hydrazinylbenzamide
CID 62248667
N-cyclopentyl-N-ethyl-4-(methylamino)benzamide
CID 62169892
N-cyclohexyl-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24895553
tert-butyl N-[(4-formylphenyl)methyl]carbamate;molecular hydrogen
CID 143920464
tert-butyl N-[[4-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenyl]methyl]carbamate
CID 46555150
N-cyclopentyl-N-ethyl-4-(phenoxymethyl)benzamide
CID 55587210
tert-butyl N-[[4-(2,3-dimethylbutanoyl)phenyl]methyl]carbamate
CID 139474554
tert-butyl N-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]methyl]carbamate
CID 58495494
N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
CID 78805547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate (CID 24632584) is tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate is CCN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is KUWCBYINHQEKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-5-23(18-9-7-6-8-10-18)19(24)17-13-11-16(12-14-17)15-22-20(25)26-21(2,3)4/h11-14,18H,5-10,15H2,1-4H3,(H,22,25).
What are the key properties of tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 360.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 24632584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).