methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate

C16H22N2O2 — CID 75427648

IUPACmethyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-16(19)18-14-8-2-11(3-9-14)10-17-15(12-4-5-12)13-6-7-13/h2-3,8-9,12-13,15,17H,4-7,10H2,1H3,(H,18,19)
InChIKeyOKSDTESQZRTHRI-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.14
Rot. Bonds6

About methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate

methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate (PubChem CID 75427648) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate
PubChem CID75427648
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namemethyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-16(19)18-14-8-2-11(3-9-14)10-17-15(12-4-5-12)13-6-7-13/h2-3,8-9,12-13,15,17H,4-7,10H2,1H3,(H,18,19)
InChIKeyOKSDTESQZRTHRI-UHFFFAOYSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate (CID 75427648) is methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(C2CC2)C2CC2)cc1.
What is the InChIKey of methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate?
The InChIKey is OKSDTESQZRTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-16(19)18-14-8-2-11(3-9-14)10-17-15(12-4-5-12)13-6-7-13/h2-3,8-9,12-13,15,17H,4-7,10H2,1H3,(H,18,19).
What are the key properties of methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate?
methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate is sourced from PubChem (CID 75427648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).