[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate

C16H23NO4 — CID 58962186

IUPAC[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate
SMILESCCCNC(=O)Oc1ccc(COC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-5-10-17-15(19)21-13-8-6-12(7-9-13)11-20-14(18)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyPIVOQZYHPFJCHE-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.27
Rot. Bonds5

About [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate

[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate (PubChem CID 58962186) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate
PubChem CID58962186
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate
SMILESCCCNC(=O)Oc1ccc(COC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-5-10-17-15(19)21-13-8-6-12(7-9-13)11-20-14(18)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyPIVOQZYHPFJCHE-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
[4-(butylamino)phenyl]methyl 2,2-dimethylpropanoate
CID 146908653
(4-aminophenyl)methyl N-propylcarbamate
CID 142910481
[4-(carbonochloridoyloxymethyl)phenyl] 2,2-dimethylpropanoate
CID 59081476
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
[4-(propylamino)phenyl] 2,2-dimethylpropanoate
CID 82532439
[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
CID 142561776
(4-aminophenyl) N-butylcarbamate
CID 126552960
[4-[[3,5-bis[[4-(butylcarbamoyloxy)phenyl]methyl]phenyl]methyl]phenyl] N-butylcarbamate
CID 101189990
[4-[[3-[5-[3-[[4-(acetyloxymethyl)phenoxy]carbonylamino]propanoylamino]pentylamino]-3-oxopropyl]carbamoyloxy]phenyl]methyl acetate
CID 58962148
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
[4-(2-sulfanylpropan-2-ylamino)phenyl]methyl 2,2-dimethylpropanoate
CID 129076673

Frequently Asked Questions

What is the IUPAC name of [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate (CID 58962186) is [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate is CCCNC(=O)Oc1ccc(COC(=O)C(C)(C)C)cc1.
What is the InChIKey of [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate?
The InChIKey is PIVOQZYHPFJCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-10-17-15(19)21-13-8-6-12(7-9-13)11-20-14(18)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,19).
What are the key properties of [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate?
[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate has a molecular weight of 293.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 58962186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).