4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide

C22H29NO3 — CID 100715842

IUPAC4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cccc(CCCNC(=O)c2cc(C(C)C)c(OC)cc2C)c1
InChIInChI=1S/C22H29NO3/c1-15(2)19-14-20(16(3)12-21(19)26-5)22(24)23-11-7-9-17-8-6-10-18(13-17)25-4/h6,8,10,12-15H,7,9,11H2,1-5H3,(H,23,24)
InChIKeyVIEGUDMWTFLXQX-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.50
Rot. Bonds8

About 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide

4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide (PubChem CID 100715842) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide
PubChem CID100715842
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cccc(CCCNC(=O)c2cc(C(C)C)c(OC)cc2C)c1
InChIInChI=1S/C22H29NO3/c1-15(2)19-14-20(16(3)12-21(19)26-5)22(24)23-11-7-9-17-8-6-10-18(13-17)25-4/h6,8,10,12-15H,7,9,11H2,1-5H3,(H,23,24)
InChIKeyVIEGUDMWTFLXQX-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.50
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

4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
CID 100714446
5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
CID 100529695
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 99952145
N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 84534524
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 95172520
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107854785
2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 38002281
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide (CID 100715842) is 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide is COc1cccc(CCCNC(=O)c2cc(C(C)C)c(OC)cc2C)c1.
What is the InChIKey of 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide?
The InChIKey is VIEGUDMWTFLXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(2)19-14-20(16(3)12-21(19)26-5)22(24)23-11-7-9-17-8-6-10-18(13-17)25-4/h6,8,10,12-15H,7,9,11H2,1-5H3,(H,23,24).
What are the key properties of 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide?
4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide has a molecular weight of 355.48 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 100715842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).