N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide

C18H24ClN3O3 — CID 142513696

IUPACN-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N[C@@H]1CC(NC(=O)COc2ccc(Cl)cc2)C2CC21
InChIInChI=1S/C18H24ClN3O3/c1-22(2)9-17(23)20-15-8-16(14-7-13(14)15)21-18(24)10-25-12-5-3-11(19)4-6-12/h3-6,13-16H,7-10H2,1-2H3,(H,20,23)(H,21,24)/t13?,14?,15-,16?/m1/s1
InChIKeyAIXAYKZJUPQSNC-MYLOQMAZSA-N
MW365.86 g/mol
LogP1.29
Rot. Bonds7

About N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide

N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide (PubChem CID 142513696) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide
PubChem CID142513696
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N[C@@H]1CC(NC(=O)COc2ccc(Cl)cc2)C2CC21
InChIInChI=1S/C18H24ClN3O3/c1-22(2)9-17(23)20-15-8-16(14-7-13(14)15)21-18(24)10-25-12-5-3-11(19)4-6-12/h3-6,13-16H,7-10H2,1-2H3,(H,20,23)(H,21,24)/t13?,14?,15-,16?/m1/s1
InChIKeyAIXAYKZJUPQSNC-MYLOQMAZSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide with MolForge

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Related Compounds

N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 137400264
N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide
CID 137399683
tert-butyl N-[2-[[(2S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
CID 137399033
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
N-[(2R,4S)-4-[4-(4-chlorophenyl)-2-oxopiperazin-1-yl]-2-bicyclo[3.1.0]hexanyl]-2-(4-methylphenoxy)acetamide
CID 142490375
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
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
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 139517667

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide (CID 142513696) is N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)N[C@@H]1CC(NC(=O)COc2ccc(Cl)cc2)C2CC21.
What is the InChIKey of N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide?
The InChIKey is AIXAYKZJUPQSNC-MYLOQMAZSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-22(2)9-17(23)20-15-8-16(14-7-13(14)15)21-18(24)10-25-12-5-3-11(19)4-6-12/h3-6,13-16H,7-10H2,1-2H3,(H,20,23)(H,21,24)/t13?,14?,15-,16?/m1/s1.
What are the key properties of N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide?
N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide has a molecular weight of 365.86 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 142513696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).