N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide

C20H24ClNO3 — CID 122497926

IUPACN-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide
SMILESCCCc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cc2)c(Cl)c1
InChIInChI=1S/C20H24ClNO3/c1-4-5-16-6-11-20(19(21)12-16)25-18-9-7-17(8-10-18)24-13-14(2)22-15(3)23/h6-12,14H,4-5,13H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyMOELFBSOGLLILR-AWEZNQCLSA-N
MW361.87 g/mol
LogP4.99
Rot. Bonds8

About N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide

N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide (PubChem CID 122497926) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide
PubChem CID122497926
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC NameN-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide
SMILESCCCc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cc2)c(Cl)c1
InChIInChI=1S/C20H24ClNO3/c1-4-5-16-6-11-20(19(21)12-16)25-18-9-7-17(8-10-18)24-13-14(2)22-15(3)23/h6-12,14H,4-5,13H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyMOELFBSOGLLILR-AWEZNQCLSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[2-(4-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578622
N-[2-(2-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578621
2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide
CID 2218265
2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)acetamide
CID 2164052
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 793951
US10150728, Example I-006
CID 122497355
Acetamide, 2-((3-chloro(1,1'-biphenyl)-4-yl)oxy)-N-(2-(diethylamino)ethyl)-, monohydrochloride
CID 206141
N-[3-(2-chloro-6-methylphenoxy)propyl]acetamide
CID 75446450
2-(3-chloro-4-methoxyphenyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide
CID 162653411
N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide
CID 844825
2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
CID 2171881

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide (CID 122497926) is N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide is CCCc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cc2)c(Cl)c1.
What is the InChIKey of N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide?
The InChIKey is MOELFBSOGLLILR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-4-5-16-6-11-20(19(21)12-16)25-18-9-7-17(8-10-18)24-13-14(2)22-15(3)23/h6-12,14H,4-5,13H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide?
N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide has a molecular weight of 361.87 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]acetamide is sourced from PubChem (CID 122497926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).