tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate

C18H28N2O2 — CID 103715317

IUPACtert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
SMILESCc1cccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-13-6-5-7-16(12-13)19-14-8-10-15(11-9-14)20-17(21)22-18(2,3)4/h5-7,12,14-15,19H,8-11H2,1-4H3,(H,20,21)
InChIKeyBMHHTGTZBWQPJM-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate

tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate (PubChem CID 103715317) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
PubChem CID103715317
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
SMILESCc1cccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-13-6-5-7-16(12-13)19-14-8-10-15(11-9-14)20-17(21)22-18(2,3)4/h5-7,12,14-15,19H,8-11H2,1-4H3,(H,20,21)
InChIKeyBMHHTGTZBWQPJM-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate
CID 103715349
tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
CID 103715367
tert-butyl N-[4-(2,6-dibromoanilino)cyclohexyl]carbamate
CID 107597180
tert-butyl N-[4-(2-bromo-3-methylanilino)cyclohexyl]carbamate
CID 103821402
tert-butyl N-[4-(3-bromo-2-methylanilino)cyclohexyl]carbamate
CID 107629945
tert-butyl N-[4-[3-[4-(trifluoromethyl)piperidin-1-yl]anilino]cyclohexyl]carbamate
CID 171775749
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[4-(4-methyl-2-nitroanilino)cyclohexyl]carbamate
CID 66877331
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[4-(2,5-dibromoanilino)cyclohexyl]carbamate
CID 103715445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate (CID 103715317) is tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate is Cc1cccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate?
The InChIKey is BMHHTGTZBWQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-6-5-7-16(12-13)19-14-8-10-15(11-9-14)20-17(21)22-18(2,3)4/h5-7,12,14-15,19H,8-11H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate?
tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate is sourced from PubChem (CID 103715317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).