N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide

C22H29NO4 — CID 55713345

IUPACN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCc2ccc(OCCC(C)C)c(OC)c2)c1
InChIInChI=1S/C22H29NO4/c1-16(2)10-11-27-20-9-8-18(13-21(20)26-4)15-23-22(24)14-17-6-5-7-19(12-17)25-3/h5-9,12-13,16H,10-11,14-15H2,1-4H3,(H,23,24)
InChIKeyPUHGLQPZRHBTBM-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.99
Rot. Bonds10

About N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 55713345) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
PubChem CID55713345
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCc2ccc(OCCC(C)C)c(OC)c2)c1
InChIInChI=1S/C22H29NO4/c1-16(2)10-11-27-20-9-8-18(13-21(20)26-4)15-23-22(24)14-17-6-5-7-19(12-17)25-3/h5-9,12-13,16H,10-11,14-15H2,1-4H3,(H,23,24)
InChIKeyPUHGLQPZRHBTBM-UHFFFAOYSA-N
XLogP3.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616453
N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55713571
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylcarbamothioyl]-3-propan-2-yloxybenzamide
CID 54776885
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-3-(3-methylbutoxy)benzamide
CID 54777242
3,4,5-trimethoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylcarbamothioyl]benzamide
CID 54776880

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide (CID 55713345) is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCc2ccc(OCCC(C)C)c(OC)c2)c1.
What is the InChIKey of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is PUHGLQPZRHBTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-16(2)10-11-27-20-9-8-18(13-21(20)26-4)15-23-22(24)14-17-6-5-7-19(12-17)25-3/h5-9,12-13,16H,10-11,14-15H2,1-4H3,(H,23,24).
What are the key properties of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide?
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 55713345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).