2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

C25H27NO4 — CID 27865748

IUPAC2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H27NO4/c1-3-29-22-12-9-19(10-13-22)16-25(27)26-17-21-11-14-23(24(15-21)28-2)30-18-20-7-5-4-6-8-20/h4-15H,3,16-18H2,1-2H3,(H,26,27)
InChIKeyYMHFQHBYGSTKSO-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.53
Rot. Bonds10

About 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 27865748) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID27865748
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H27NO4/c1-3-29-22-12-9-19(10-13-22)16-25(27)26-17-21-11-14-23(24(15-21)28-2)30-18-20-7-5-4-6-8-20/h4-15H,3,16-18H2,1-2H3,(H,26,27)
InChIKeyYMHFQHBYGSTKSO-UHFFFAOYSA-N
XLogP4.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55845333
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (CID 27865748) is 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is CCOc1ccc(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is YMHFQHBYGSTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-3-29-22-12-9-19(10-13-22)16-25(27)26-17-21-11-14-23(24(15-21)28-2)30-18-20-7-5-4-6-8-20/h4-15H,3,16-18H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 405.49 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 27865748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).