N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide

C17H26ClN3O3 — CID 113053780

IUPACN-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=O)N(CCCN(C)C)CCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O3/c1-14(22)21(11-4-10-20(2)3)12-9-19-17(23)13-24-16-7-5-15(18)6-8-16/h5-8H,4,9-13H2,1-3H3,(H,19,23)
InChIKeyFBHQOQQVBSNXBE-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.64
Rot. Bonds10

About N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide

N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 113053780) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID113053780
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC NameN-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=O)N(CCCN(C)C)CCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O3/c1-14(22)21(11-4-10-20(2)3)12-9-19-17(23)13-24-16-7-5-15(18)6-8-16/h5-8H,4,9-13H2,1-3H3,(H,19,23)
InChIKeyFBHQOQQVBSNXBE-UHFFFAOYSA-N
XLogP1.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113052275
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113052412
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113057322
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113053174
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide
CID 113053783
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide (CID 113053780) is N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide is CC(=O)N(CCCN(C)C)CCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is FBHQOQQVBSNXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-14(22)21(11-4-10-20(2)3)12-9-19-17(23)13-24-16-7-5-15(18)6-8-16/h5-8H,4,9-13H2,1-3H3,(H,19,23).
What are the key properties of N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 355.87 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 113053780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).