N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide

C19H26ClN3O3 — CID 137380477

IUPACN-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide
SMILESCCCN(C)CC(=O)NC12CC(NC(=O)COc3ccc(Cl)cc3)(C1)C2
InChIInChI=1S/C19H26ClN3O3/c1-3-8-23(2)9-16(24)21-18-11-19(12-18,13-18)22-17(25)10-26-15-6-4-14(20)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLAZCKXMWJWRLTR-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.97
Rot. Bonds9

About N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide (PubChem CID 137380477) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide
PubChem CID137380477
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide
SMILESCCCN(C)CC(=O)NC12CC(NC(=O)COc3ccc(Cl)cc3)(C1)C2
InChIInChI=1S/C19H26ClN3O3/c1-3-8-23(2)9-16(24)21-18-11-19(12-18,13-18)22-17(25)10-26-15-6-4-14(20)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLAZCKXMWJWRLTR-UHFFFAOYSA-N
XLogP1.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[[2-(3-methylbutan-2-yloxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137380538
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3-methylcyclobutyl)oxyacetamide
CID 139517468
3-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methylpropanamide
CID 160534031
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159936624
2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 139517637
[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 146296913
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46614584
2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 154979227

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide (CID 137380477) is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide is CCCN(C)CC(=O)NC12CC(NC(=O)COc3ccc(Cl)cc3)(C1)C2.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide?
The InChIKey is LAZCKXMWJWRLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-3-8-23(2)9-16(24)21-18-11-19(12-18,13-18)22-17(25)10-26-15-6-4-14(20)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide?
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide has a molecular weight of 379.89 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide is sourced from PubChem (CID 137380477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).