(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide

C20H24ClNO4 — CID 99647029

IUPAC(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H24ClNO4/c1-14(26-17-9-7-16(21)8-10-17)20(23)22-12-4-5-15-6-11-18(24-2)19(13-15)25-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyIBXYKCJULPHZJE-AWEZNQCLSA-N
MW377.87 g/mol
LogP3.87
Rot. Bonds9

About (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide

(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide (PubChem CID 99647029) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
PubChem CID99647029
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H24ClNO4/c1-14(26-17-9-7-16(21)8-10-17)20(23)22-12-4-5-15-6-11-18(24-2)19(13-15)25-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyIBXYKCJULPHZJE-AWEZNQCLSA-N
XLogP3.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 95091668
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
(2S)-2-(3-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7026894
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7415114
(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 8624083
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 132658160
N-[3-(4-chlorophenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide (CID 99647029) is (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide is COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
The InChIKey is IBXYKCJULPHZJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-14(26-17-9-7-16(21)8-10-17)20(23)22-12-4-5-15-6-11-18(24-2)19(13-15)25-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide has a molecular weight of 377.87 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide is sourced from PubChem (CID 99647029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).