methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate

C14H18N2O4 — CID 2961671

IUPACmethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)16-11-6-4-10(5-7-11)13(17)15-9-12-3-2-8-20-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyPGECYZDVCGBWNW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.77
Rot. Bonds4

About methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate

methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate (PubChem CID 2961671) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate
PubChem CID2961671
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)16-11-6-4-10(5-7-11)13(17)15-9-12-3-2-8-20-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyPGECYZDVCGBWNW-UHFFFAOYSA-N
XLogP1.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate (CID 2961671) is methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate is COC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate?
The InChIKey is PGECYZDVCGBWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-14(18)16-11-6-4-10(5-7-11)13(17)15-9-12-3-2-8-20-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate?
methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate has a molecular weight of 278.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 2961671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).