N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide

C14H18F3N3O3 — CID 87000141

IUPACN-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O3/c1-2-18-12(21)9-20-13(22)19-8-7-10-3-5-11(6-4-10)23-14(15,16)17/h3-6H,2,7-9H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyKAGIRIVZVBVHAP-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.56
Rot. Bonds7

About N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide

N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide (PubChem CID 87000141) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide
PubChem CID87000141
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC NameN-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O3/c1-2-18-12(21)9-20-13(22)19-8-7-10-3-5-11(6-4-10)23-14(15,16)17/h3-6H,2,7-9H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyKAGIRIVZVBVHAP-UHFFFAOYSA-N
XLogP1.56
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
CID 47984901
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide
CID 47043798
N-propyl-2-[[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]amino]acetamide
CID 111597740
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
1,3-diethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 110925746
N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 61059305
4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794
N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8971347
(2R)-2-(1,2,4-triazol-1-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 94029323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide?
The IUPAC name of N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide (CID 87000141) is N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide?
The canonical SMILES for N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide is CCNC(=O)CNC(=O)NCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide?
The InChIKey is KAGIRIVZVBVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-2-18-12(21)9-20-13(22)19-8-7-10-3-5-11(6-4-10)23-14(15,16)17/h3-6H,2,7-9H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide?
N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide has a molecular weight of 333.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide is sourced from PubChem (CID 87000141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).