2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate

C14H27NO3 — CID 65121479

IUPAC2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate
SMILESCC(C)COC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H27NO3/c1-11(2)9-18-12(16)15-10-14(17)7-5-13(3,4)6-8-14/h11,17H,5-10H2,1-4H3,(H,15,16)
InChIKeyMXFGFIHZIJTIAM-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.70
Rot. Bonds4

About 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate

2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate (PubChem CID 65121479) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate
PubChem CID65121479
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate
SMILESCC(C)COC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H27NO3/c1-11(2)9-18-12(16)15-10-14(17)7-5-13(3,4)6-8-14/h11,17H,5-10H2,1-4H3,(H,15,16)
InChIKeyMXFGFIHZIJTIAM-UHFFFAOYSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate
CID 115456912
methyl 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylsulfamoyl]propanoate
CID 65121253
methyl 3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2-methylbutanoate
CID 79396736
2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 70320103
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 65123311
3-(2,2-difluoroethoxy)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
CID 103209084
3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
CID 65120418
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187
1-(2-methylpropoxycarbonylamino)oxycyclopropane-1-carboxylic acid
CID 163240457
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
1-tert-butyl-3-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]urea
CID 65121623

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate?
The IUPAC name of 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate (CID 65121479) is 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate is CC(C)COC(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate?
The InChIKey is MXFGFIHZIJTIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2)9-18-12(16)15-10-14(17)7-5-13(3,4)6-8-14/h11,17H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate?
2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate has a molecular weight of 257.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 65121479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).