N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide

C20H28ClN3O3 — CID 137400264

IUPACN-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)N[C@@H]1C[C@H](NC(=O)COc2ccc(Cl)cc2)C2CC21
InChIInChI=1S/C20H28ClN3O3/c1-12(2)24(3)10-19(25)22-17-9-18(16-8-15(16)17)23-20(26)11-27-14-6-4-13(21)5-7-14/h4-7,12,15-18H,8-11H2,1-3H3,(H,22,25)(H,23,26)/t15?,16?,17-,18+/m1/s1
InChIKeyKHVUFGQGBGJHKM-HIEASXQVSA-N
MW393.92 g/mol
LogP2.07
Rot. Bonds8

About N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 137400264) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID137400264
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC NameN-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)N[C@@H]1C[C@H](NC(=O)COc2ccc(Cl)cc2)C2CC21
InChIInChI=1S/C20H28ClN3O3/c1-12(2)24(3)10-19(25)22-17-9-18(16-8-15(16)17)23-20(26)11-27-14-6-4-13(21)5-7-14/h4-7,12,15-18H,8-11H2,1-3H3,(H,22,25)(H,23,26)/t15?,16?,17-,18+/m1/s1
InChIKeyKHVUFGQGBGJHKM-HIEASXQVSA-N
XLogP2.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide 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-[(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
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane
CID 142513620
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-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 137400264) is N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)N[C@@H]1C[C@H](NC(=O)COc2ccc(Cl)cc2)C2CC21.
What is the InChIKey of N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is KHVUFGQGBGJHKM-HIEASXQVSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c1-12(2)24(3)10-19(25)22-17-9-18(16-8-15(16)17)23-20(26)11-27-14-6-4-13(21)5-7-14/h4-7,12,15-18H,8-11H2,1-3H3,(H,22,25)(H,23,26)/t15?,16?,17-,18+/m1/s1.
What are the key properties of N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 393.92 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 137400264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).