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Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate

C14H22N2O2 — CID 43508328

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
SMILESCCCNC(C)c1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-10-15-11(3)12-6-8-13(9-7-12)16-14(17)18-5-2/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyLJLDHFDMKRGTSH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.32
Rot. Bonds6

About Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate

Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate (PubChem CID 43508328) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate.

Molecular Properties

Compound NameEthyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
PubChem CID43508328
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
SMILESCCCNC(C)c1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-10-15-11(3)12-6-8-13(9-7-12)16-14(17)18-5-2/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyLJLDHFDMKRGTSH-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate?
The IUPAC name of Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate (CID 43508328) is ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate.
What is the SMILES notation for Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate?
The canonical SMILES for Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate is CCCNC(C)c1ccc(NC(=O)OCC)cc1.
What is the InChIKey of Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate?
The InChIKey is LJLDHFDMKRGTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10-15-11(3)12-6-8-13(9-7-12)16-14(17)18-5-2/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate?
Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate is sourced from PubChem (CID 43508328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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