(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide

C13H18ClNO3 — CID 42561381

IUPAC(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@H](C)Oc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3/c1-10(13(16)15-8-5-9-17-2)18-12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyGNUUSUMGUQDLIU-JTQLQIEISA-N
MW271.74 g/mol
LogP2.26
Rot. Bonds7

About (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide

(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 42561381) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID42561381
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@H](C)Oc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3/c1-10(13(16)15-8-5-9-17-2)18-12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyGNUUSUMGUQDLIU-JTQLQIEISA-N
XLogP2.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.26
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

2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 79676776
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43503502
ethyl 4-[2-(2-chlorophenoxy)propanoylamino]butanoate
CID 60739618
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86925216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide (CID 42561381) is (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)[C@H](C)Oc1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is GNUUSUMGUQDLIU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-10(13(16)15-8-5-9-17-2)18-12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide?
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 271.74 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 42561381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).