[4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate

C25H41NO2 — CID 123288733

IUPAC[4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate
SMILESCC(C)(C)CC(C)(C)c1ccc(OC(=O)NCC2(C)CCCC(C)(C)C2)cc1
InChIInChI=1S/C25H41NO2/c1-22(2,3)16-24(6,7)19-10-12-20(13-11-19)28-21(27)26-18-25(8)15-9-14-23(4,5)17-25/h10-13H,9,14-18H2,1-8H3,(H,26,27)
InChIKeyVNKKWFWFEIWABR-UHFFFAOYSA-N
MW387.61 g/mol
LogP7.10
Rot. Bonds5

About [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate

[4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate (PubChem CID 123288733) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Name[4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate
PubChem CID123288733
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name[4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate
SMILESCC(C)(C)CC(C)(C)c1ccc(OC(=O)NCC2(C)CCCC(C)(C)C2)cc1
InChIInChI=1S/C25H41NO2/c1-22(2,3)16-24(6,7)19-10-12-20(13-11-19)28-21(27)26-18-25(8)15-9-14-23(4,5)17-25/h10-13H,9,14-18H2,1-8H3,(H,26,27)
InChIKeyVNKKWFWFEIWABR-UHFFFAOYSA-N
XLogP7.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate with MolForge

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Related Compounds

[2,4-bis(2-methylbutan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 91523883
(4-nonylphenyl) N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 123331515
bis[4-(2,4,4-trimethylpentan-2-yl)phenyl] hexanedioate
CID 71386574
4-phenylbutyl N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 123451192
[4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[2-methyl-5-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]carbonylamino]phenyl]carbamate
CID 67180291
[4-(2,4,4-trimethylpentan-2-yl)phenyl] 2,2,2-trifluoroacetate
CID 71672718
[4-[1-[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 58760893
phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 121431628
ethyl 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 17065223
1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine
CID 117403092
[4-(2,4,4-trimethylpentan-2-yl)phenyl] 2,2-bis(trifluoromethyl)butanoate
CID 71671870
1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-one
CID 43411675

Frequently Asked Questions

What is the IUPAC name of [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate?
The IUPAC name of [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate (CID 123288733) is [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate.
What is the SMILES notation for [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate?
The canonical SMILES for [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate is CC(C)(C)CC(C)(C)c1ccc(OC(=O)NCC2(C)CCCC(C)(C)C2)cc1.
What is the InChIKey of [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate?
The InChIKey is VNKKWFWFEIWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO2/c1-22(2,3)16-24(6,7)19-10-12-20(13-11-19)28-21(27)26-18-25(8)15-9-14-23(4,5)17-25/h10-13H,9,14-18H2,1-8H3,(H,26,27).
What are the key properties of [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate?
[4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate has a molecular weight of 387.61 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 123288733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).