N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide

C19H25ClN2O4 — CID 137399683

IUPACN-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N[C@H]1C[C@@H](NC(=O)COc2ccc(Cl)cc2)C2CC21
InChIInChI=1S/C19H25ClN2O4/c1-2-7-25-10-18(23)21-16-9-17(15-8-14(15)16)22-19(24)11-26-13-5-3-12(20)4-6-13/h3-6,14-17H,2,7-11H2,1H3,(H,21,23)(H,22,24)/t14?,15?,16-,17+/m0/s1
InChIKeyWXEDVYUYWWXQRZ-SJJHQCBESA-N
MW380.87 g/mol
LogP2.15
Rot. Bonds9

About N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide

N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide (PubChem CID 137399683) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide
PubChem CID137399683
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC NameN-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N[C@H]1C[C@@H](NC(=O)COc2ccc(Cl)cc2)C2CC21
InChIInChI=1S/C19H25ClN2O4/c1-2-7-25-10-18(23)21-16-9-17(15-8-14(15)16)22-19(24)11-26-13-5-3-12(20)4-6-13/h3-6,14-17H,2,7-11H2,1H3,(H,21,23)(H,22,24)/t14?,15?,16-,17+/m0/s1
InChIKeyWXEDVYUYWWXQRZ-SJJHQCBESA-N
XLogP2.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide with MolForge

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Related Compounds

N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide
CID 142513696
N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 137400264
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
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
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-cyclooctylacetamide
CID 875180
N-[(1R,3S)-3-[[2-(4-chlorophenoxy)acetyl]amino]-4-sulfanylcyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 137399599
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
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide?
The IUPAC name of N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide (CID 137399683) is N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide?
The canonical SMILES for N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide is CCCOCC(=O)N[C@H]1C[C@@H](NC(=O)COc2ccc(Cl)cc2)C2CC21.
What is the InChIKey of N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide?
The InChIKey is WXEDVYUYWWXQRZ-SJJHQCBESA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-2-7-25-10-18(23)21-16-9-17(15-8-14(15)16)22-19(24)11-26-13-5-3-12(20)4-6-13/h3-6,14-17H,2,7-11H2,1H3,(H,21,23)(H,22,24)/t14?,15?,16-,17+/m0/s1.
What are the key properties of N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide?
N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide has a molecular weight of 380.87 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide is sourced from PubChem (CID 137399683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).