N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide

C22H29NO5 — CID 55796411

IUPACN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCOCCOc1cc(NC(=O)C(C)Oc2cccc(C(C)C)c2)ccc1OC
InChIInChI=1S/C22H29NO5/c1-15(2)17-7-6-8-19(13-17)28-16(3)22(24)23-18-9-10-20(26-5)21(14-18)27-12-11-25-4/h6-10,13-16H,11-12H2,1-5H3,(H,23,24)
InChIKeyOBQPIPHWWMMLMR-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.25
Rot. Bonds10

About N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 55796411) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID55796411
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCOCCOc1cc(NC(=O)C(C)Oc2cccc(C(C)C)c2)ccc1OC
InChIInChI=1S/C22H29NO5/c1-15(2)17-7-6-8-19(13-17)28-16(3)22(24)23-18-9-10-20(26-5)21(14-18)27-12-11-25-4/h6-10,13-16H,11-12H2,1-5H3,(H,23,24)
InChIKeyOBQPIPHWWMMLMR-UHFFFAOYSA-N
XLogP4.25
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 55624317
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 39729674
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55882264
(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
CID 26561785
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide (CID 55796411) is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide is COCCOc1cc(NC(=O)C(C)Oc2cccc(C(C)C)c2)ccc1OC.
What is the InChIKey of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is OBQPIPHWWMMLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-15(2)17-7-6-8-19(13-17)28-16(3)22(24)23-18-9-10-20(26-5)21(14-18)27-12-11-25-4/h6-10,13-16H,11-12H2,1-5H3,(H,23,24).
What are the key properties of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 387.48 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 55796411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).