N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide

C16H22ClN3O3 — CID 137399054

IUPACN-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide
SMILESCCC1(NC(=O)CNC)CC1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O3/c1-3-16(20-14(21)9-18-2)8-13(16)19-15(22)10-23-12-6-4-11(17)5-7-12/h4-7,13,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyCROSLRXPMUEORQ-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.09
Rot. Bonds8

About N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide (PubChem CID 137399054) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide
PubChem CID137399054
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide
SMILESCCC1(NC(=O)CNC)CC1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O3/c1-3-16(20-14(21)9-18-2)8-13(16)19-15(22)10-23-12-6-4-11(17)5-7-12/h4-7,13,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyCROSLRXPMUEORQ-UHFFFAOYSA-N
XLogP1.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide
CID 142513649
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039863
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 139517667
2-[[(2S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]amino]-N-methylacetamide
CID 137399645
N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide
CID 137399683
N-(2-amino-4-ethoxycyclobutyl)-2-(4-chlorophenoxy)acetamide
CID 66195499
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide (CID 137399054) is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide is CCC1(NC(=O)CNC)CC1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide?
The InChIKey is CROSLRXPMUEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-3-16(20-14(21)9-18-2)8-13(16)19-15(22)10-23-12-6-4-11(17)5-7-12/h4-7,13,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide?
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide has a molecular weight of 339.82 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide is sourced from PubChem (CID 137399054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).