(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide

C22H29NO3 — CID 30381733

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C22H29NO3/c1-5-20(26-21-13-6-9-16(2)17(21)3)22(24)23-14-8-11-18-10-7-12-19(15-18)25-4/h6-7,9-10,12-13,15,20H,5,8,11,14H2,1-4H3,(H,23,24)/t20-/m0/s1
InChIKeyDHJOQEBSGOEZGI-FQEVSTJZSA-N
MW355.48 g/mol
LogP4.22
Rot. Bonds9

About (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide

(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide (PubChem CID 30381733) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
PubChem CID30381733
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C22H29NO3/c1-5-20(26-21-13-6-9-16(2)17(21)3)22(24)23-14-8-11-18-10-7-12-19(15-18)25-4/h6-7,9-10,12-13,15,20H,5,8,11,14H2,1-4H3,(H,23,24)/t20-/m0/s1
InChIKeyDHJOQEBSGOEZGI-FQEVSTJZSA-N
XLogP4.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.22
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

(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 92676986
2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132657819
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
2-(2,3-dimethylphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133240129
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 93486925
2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133240125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide (CID 30381733) is (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1cccc(OC)c1.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The InChIKey is DHJOQEBSGOEZGI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-20(26-21-13-6-9-16(2)17(21)3)22(24)23-14-8-11-18-10-7-12-19(15-18)25-4/h6-7,9-10,12-13,15,20H,5,8,11,14H2,1-4H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide has a molecular weight of 355.48 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 30381733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).