N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide

C25H27NO4 — CID 11640049

IUPACN-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide
SMILESCOc1cc(CCNC(C)=O)cc(-c2ccc(OCc3ccccc3)cc2)c1OC
InChIInChI=1S/C25H27NO4/c1-18(27)26-14-13-20-15-23(25(29-3)24(16-20)28-2)21-9-11-22(12-10-21)30-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27)
InChIKeyBOONIOFTDZIXHO-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.63
Rot. Bonds9

About N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide

N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide (PubChem CID 11640049) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide
PubChem CID11640049
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide
SMILESCOc1cc(CCNC(C)=O)cc(-c2ccc(OCc3ccccc3)cc2)c1OC
InChIInChI=1S/C25H27NO4/c1-18(27)26-14-13-20-15-23(25(29-3)24(16-20)28-2)21-9-11-22(12-10-21)30-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27)
InChIKeyBOONIOFTDZIXHO-UHFFFAOYSA-N
XLogP4.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
CID 46884554
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55843576
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663908
[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 42975575
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
1-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 10506672
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
2-phenyl-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663785
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide (CID 11640049) is N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide is COc1cc(CCNC(C)=O)cc(-c2ccc(OCc3ccccc3)cc2)c1OC.
What is the InChIKey of N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide?
The InChIKey is BOONIOFTDZIXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-18(27)26-14-13-20-15-23(25(29-3)24(16-20)28-2)21-9-11-22(12-10-21)30-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27).
What are the key properties of N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide?
N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide has a molecular weight of 405.49 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 11640049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).