tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate

C19H29BrN2O2 — CID 113259602

IUPACtert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate
SMILESCCc1cc(Br)ccc1NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29BrN2O2/c1-5-13-12-14(20)6-11-17(13)21-15-7-9-16(10-8-15)22-18(23)24-19(2,3)4/h6,11-12,15-16,21H,5,7-10H2,1-4H3,(H,22,23)
InChIKeyQJGCWMBDLTYKOP-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.26
Rot. Bonds4

About tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate

tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate (PubChem CID 113259602) has the molecular formula C19H29BrN2O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate
PubChem CID113259602
Molecular FormulaC19H29BrN2O2
Molecular Weight397.36 g/mol
Exact Mass396.14
IUPAC Nametert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate
SMILESCCc1cc(Br)ccc1NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29BrN2O2/c1-5-13-12-14(20)6-11-17(13)21-15-7-9-16(10-8-15)22-18(23)24-19(2,3)4/h6,11-12,15-16,21H,5,7-10H2,1-4H3,(H,22,23)
InChIKeyQJGCWMBDLTYKOP-UHFFFAOYSA-N
XLogP5.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(2,5-dibromoanilino)cyclohexyl]carbamate
CID 103715445
tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate
CID 103715349
4-bromo-N-cyclopentyl-2-ethylaniline
CID 81292169
tert-butyl N-[4-[(4-bromo-2-fluorophenyl)methoxycarbonylamino]cyclohexyl]carbamate
CID 154997780
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-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
CID 103715367
tert-butyl N-[4-(2,6-dibromoanilino)cyclohexyl]carbamate
CID 107597180
tert-butyl N-[(1R)-3-(2-bromo-4-methylanilino)cyclopentyl]carbamate
CID 129193732
tert-butyl N-[4-(2-bromo-5-nitroanilino)cyclohexyl]carbamate
CID 113267947
tert-butyl N-[3-(5-bromo-2-chloroanilino)cyclohexyl]carbamate
CID 103720210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate (CID 113259602) is tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate is CCc1cc(Br)ccc1NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate?
The InChIKey is QJGCWMBDLTYKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O2/c1-5-13-12-14(20)6-11-17(13)21-15-7-9-16(10-8-15)22-18(23)24-19(2,3)4/h6,11-12,15-16,21H,5,7-10H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate?
tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate has a molecular weight of 397.36 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate is sourced from PubChem (CID 113259602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).