2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate

C17H27NO2 — CID 144517775

IUPAC2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate
SMILESCCC(C)(C)OC(=O)NCCCc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-6-17(4,5)20-16(19)18-11-7-8-15-12-13(2)9-10-14(15)3/h9-10,12H,6-8,11H2,1-5H3,(H,18,19)
InChIKeyHRSUVVYWIVLQCC-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.15
Rot. Bonds6

About 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate

2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate (PubChem CID 144517775) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate
PubChem CID144517775
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate
SMILESCCC(C)(C)OC(=O)NCCCc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-6-17(4,5)20-16(19)18-11-7-8-15-12-13(2)9-10-14(15)3/h9-10,12H,6-8,11H2,1-5H3,(H,18,19)
InChIKeyHRSUVVYWIVLQCC-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecyl]benzenesulfonic acid
CID 175345201
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
CID 90076099
methyl 3-(2,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116927517
cesium 4-(2,5-dimethylphenyl)butanoate
CID 140689556
tert-butyl [3-(2,5-dimethylphenyl)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 145340266
2-O-[2-(2,5-dimethylphenyl)ethyl] 1-O-ethyl oxalate
CID 91658040
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
3-[2-(2,5-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163499
ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane
CID 144560369
tert-butyl N-[3-(2,4-dichlorophenyl)propyl]carbamate
CID 91048195

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate?
The IUPAC name of 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate (CID 144517775) is 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate is CCC(C)(C)OC(=O)NCCCc1cc(C)ccc1C.
What is the InChIKey of 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate?
The InChIKey is HRSUVVYWIVLQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-17(4,5)20-16(19)18-11-7-8-15-12-13(2)9-10-14(15)3/h9-10,12H,6-8,11H2,1-5H3,(H,18,19).
What are the key properties of 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate?
2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate has a molecular weight of 277.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[3-(2,5-dimethylphenyl)propyl]carbamate is sourced from PubChem (CID 144517775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).