2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide

C22H28N2O4 — CID 92646261

IUPAC2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C
InChIInChI=1S/C22H28N2O4/c1-15-9-7-12-20(16(15)2)28-17(3)21(25)24-19-11-6-5-10-18(19)22(26)23-13-8-14-27-4/h5-7,9-12,17H,8,13-14H2,1-4H3,(H,23,26)(H,24,25)/t17-/m0/s1
InChIKeyWVSFIUBDSUCGAG-KRWDZBQOSA-N
MW384.48 g/mol
LogP3.48
Rot. Bonds9

About 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide

2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 92646261) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID92646261
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C
InChIInChI=1S/C22H28N2O4/c1-15-9-7-12-20(16(15)2)28-17(3)21(25)24-19-11-6-5-10-18(19)22(26)23-13-8-14-27-4/h5-7,9-12,17H,8,13-14H2,1-4H3,(H,23,26)(H,24,25)/t17-/m0/s1
InChIKeyWVSFIUBDSUCGAG-KRWDZBQOSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzamide
CID 38007326
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-methoxypropyl)benzamide
CID 17148367
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
2-[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38008079
N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
CID 132763349
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 17150336
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide
CID 9297715

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide (CID 92646261) is 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C.
What is the InChIKey of 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is WVSFIUBDSUCGAG-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-9-7-12-20(16(15)2)28-17(3)21(25)24-19-11-6-5-10-18(19)22(26)23-13-8-14-27-4/h5-7,9-12,17H,8,13-14H2,1-4H3,(H,23,26)(H,24,25)/t17-/m0/s1.
What are the key properties of 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide?
2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 92646261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).