ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate

C15H21FN2O3 — CID 113055776

IUPACethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C15H21FN2O3/c1-3-21-15(20)17-9-11-18(12(2)19)10-8-13-4-6-14(16)7-5-13/h4-7H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyFOYUGVWMPDENCS-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.96
Rot. Bonds7

About ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate

ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate (PubChem CID 113055776) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate
PubChem CID113055776
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nameethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C15H21FN2O3/c1-3-21-15(20)17-9-11-18(12(2)19)10-8-13-4-6-14(16)7-5-13/h4-7H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyFOYUGVWMPDENCS-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate
CID 113055587
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
CID 113055720
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055767
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
CID 113055468
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055795
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055726
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
CID 113055946
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 113121058
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 113164320

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate (CID 113055776) is ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate is CCOC(=O)NCCN(CCc1ccc(F)cc1)C(C)=O.
What is the InChIKey of ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate?
The InChIKey is FOYUGVWMPDENCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-21-15(20)17-9-11-18(12(2)19)10-8-13-4-6-14(16)7-5-13/h4-7H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate?
ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate has a molecular weight of 296.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate is sourced from PubChem (CID 113055776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).