(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide

C18H20ClNO3 — CID 30794885

IUPAC(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO3/c1-13-6-8-16(9-7-13)22-11-10-20-18(21)14(2)23-17-5-3-4-15(19)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyGFJZIVYSVLLQAR-AWEZNQCLSA-N
MW333.82 g/mol
LogP3.61
Rot. Bonds7

About (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 30794885) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID30794885
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO3/c1-13-6-8-16(9-7-13)22-11-10-20-18(21)14(2)23-17-5-3-4-15(19)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyGFJZIVYSVLLQAR-AWEZNQCLSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833
2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165269
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 30794885) is (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide is Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is GFJZIVYSVLLQAR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-13-6-8-16(9-7-13)22-11-10-20-18(21)14(2)23-17-5-3-4-15(19)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 30794885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).