4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide

C22H29NO3 — CID 133217534

IUPAC4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)cc1C
InChIInChI=1S/C22H29NO3/c1-13(2)18-12-19(14(3)11-21(18)26-7)16(5)23-22(24)17-8-9-20(25-6)15(4)10-17/h8-13,16H,1-7H3,(H,23,24)
InChIKeyLPMVPCZGLRAJSH-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.94
Rot. Bonds6

About 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide

4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide (PubChem CID 133217534) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
PubChem CID133217534
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)cc1C
InChIInChI=1S/C22H29NO3/c1-13(2)18-12-19(14(3)11-21(18)26-7)16(5)23-22(24)17-8-9-20(25-6)15(4)10-17/h8-13,16H,1-7H3,(H,23,24)
InChIKeyLPMVPCZGLRAJSH-UHFFFAOYSA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-nitrobenzamide
CID 133186114
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133186498
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
CID 46485734
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 133186522
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 133186501
4-[ethylsulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 125086247
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide?
The IUPAC name of 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide (CID 133217534) is 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide?
The canonical SMILES for 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide is COc1ccc(C(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)cc1C.
What is the InChIKey of 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide?
The InChIKey is LPMVPCZGLRAJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-13(2)18-12-19(14(3)11-21(18)26-7)16(5)23-22(24)17-8-9-20(25-6)15(4)10-17/h8-13,16H,1-7H3,(H,23,24).
What are the key properties of 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide?
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide has a molecular weight of 355.48 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 133217534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).