2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide

C18H25ClN2O2 — CID 142513649

IUPAC2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide
SMILESCCC1(NC(=O)COc2ccc(Cl)cc2)CC1NCC1(C)CC1
InChIInChI=1S/C18H25ClN2O2/c1-3-18(10-15(18)20-12-17(2)8-9-17)21-16(22)11-23-14-6-4-13(19)5-7-14/h4-7,15,20H,3,8-12H2,1-2H3,(H,21,22)
InChIKeySMVZTICUSBKHIZ-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.15
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide

2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide (PubChem CID 142513649) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide
PubChem CID142513649
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide
SMILESCCC1(NC(=O)COc2ccc(Cl)cc2)CC1NCC1(C)CC1
InChIInChI=1S/C18H25ClN2O2/c1-3-18(10-15(18)20-12-17(2)8-9-17)21-16(22)11-23-14-6-4-13(19)5-7-14/h4-7,15,20H,3,8-12H2,1-2H3,(H,21,22)
InChIKeySMVZTICUSBKHIZ-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-1-ethylcyclopropyl]-2-(methylamino)acetamide
CID 137399054
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
2-[[(2S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]amino]-N-methylacetamide
CID 137399645
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3-methylcyclobutyl)oxyacetamide
CID 139517468
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide
CID 155303217
6-[[2-(4-chlorophenoxy)acetyl]amino]-6-ethylcyclohexa-2,4-diene-1-carboxylic acid
CID 22306809
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide (CID 142513649) is 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide is CCC1(NC(=O)COc2ccc(Cl)cc2)CC1NCC1(C)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide?
The InChIKey is SMVZTICUSBKHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-3-18(10-15(18)20-12-17(2)8-9-17)21-16(22)11-23-14-6-4-13(19)5-7-14/h4-7,15,20H,3,8-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide?
2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide has a molecular weight of 336.86 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-ethyl-2-[(1-methylcyclopropyl)methylamino]cyclopropyl]acetamide is sourced from PubChem (CID 142513649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).