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

C14H21NO4 — CID 92673516

IUPAC(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@H](C)Oc1cccc(OC)c1
InChIInChI=1S/C14H21NO4/c1-11(14(16)15-8-5-9-17-2)19-13-7-4-6-12(10-13)18-3/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyLVCPHSFLSUUIKH-NSHDSACASA-N
MW267.32 g/mol
LogP1.62
Rot. Bonds8

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

(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 92673516) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID92673516
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@H](C)Oc1cccc(OC)c1
InChIInChI=1S/C14H21NO4/c1-11(14(16)15-8-5-9-17-2)19-13-7-4-6-12(10-13)18-3/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyLVCPHSFLSUUIKH-NSHDSACASA-N
XLogP1.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.62
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

2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60904827
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 133239855
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide (CID 92673516) is (2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)[C@H](C)Oc1cccc(OC)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is LVCPHSFLSUUIKH-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO4/c1-11(14(16)15-8-5-9-17-2)19-13-7-4-6-12(10-13)18-3/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide?
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 267.32 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 92673516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).