N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide

C20H23ClN2O3 — CID 42911596

IUPACN-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)N(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(20(25)16-4-8-18(9-5-16)22-15(2)24)23(3)12-13-26-19-10-6-17(21)7-11-19/h4-11,14H,12-13H2,1-3H3,(H,22,24)
InChIKeyPSISNRWZNCIWJP-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.88
Rot. Bonds8

About N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide

N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide (PubChem CID 42911596) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide
PubChem CID42911596
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)N(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(20(25)16-4-8-18(9-5-16)22-15(2)24)23(3)12-13-26-19-10-6-17(21)7-11-19/h4-11,14H,12-13H2,1-3H3,(H,22,24)
InChIKeyPSISNRWZNCIWJP-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 26005700
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
CID 60577621
1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796020
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
CID 27811339
4-chloro-N'-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrochloride
CID 45265026
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
CID 134113078

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide (CID 42911596) is N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)N(C)CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide?
The InChIKey is PSISNRWZNCIWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14(20(25)16-4-8-18(9-5-16)22-15(2)24)23(3)12-13-26-19-10-6-17(21)7-11-19/h4-11,14H,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide?
N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide is sourced from PubChem (CID 42911596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).