2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate

C13H19NO4 — CID 134090517

IUPAC2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCC(C)C)cc(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(2)8-18-13(15)14-10-5-11(16-3)7-12(6-10)17-4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyMJWDKQILADWSBE-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.91
Rot. Bonds5

About 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate

2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate (PubChem CID 134090517) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
PubChem CID134090517
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCC(C)C)cc(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(2)8-18-13(15)14-10-5-11(16-3)7-12(6-10)17-4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyMJWDKQILADWSBE-UHFFFAOYSA-N
XLogP2.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate
CID 13298348
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290
2,3-dimethyl-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 63021039
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 30343450
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
CID 5151052
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
2-fluoro-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 60827611
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate?
The IUPAC name of 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate (CID 134090517) is 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate is COc1cc(NC(=O)OCC(C)C)cc(OC)c1.
What is the InChIKey of 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate?
The InChIKey is MJWDKQILADWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(2)8-18-13(15)14-10-5-11(16-3)7-12(6-10)17-4/h5-7,9H,8H2,1-4H3,(H,14,15).
What are the key properties of 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate?
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate has a molecular weight of 253.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate is sourced from PubChem (CID 134090517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).