N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride

C26H30ClNO6 — CID 18774569

IUPACN-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)COc2ccc(C)cc2)c2ccc(OC)c(OC)c2)cc1OC.Cl
InChIInChI=1S/C26H29NO6.ClH/c1-17-6-10-20(11-7-17)33-16-25(28)27-26(18-8-12-21(29-2)23(14-18)31-4)19-9-13-22(30-3)24(15-19)32-5;/h6-15,26H,16H2,1-5H3,(H,27,28);1H
InChIKeyCIRHKUYCPUXKIT-UHFFFAOYSA-N
MW487.98 g/mol
LogP4.74
Rot. Bonds10

About N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride

N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride (PubChem CID 18774569) has the molecular formula C26H30ClNO6 and a molecular weight of 487.98 g/mol. Its IUPAC name is N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride
PubChem CID18774569
Molecular FormulaC26H30ClNO6
Molecular Weight487.98 g/mol
Exact Mass487.18
IUPAC NameN-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)COc2ccc(C)cc2)c2ccc(OC)c(OC)c2)cc1OC.Cl
InChIInChI=1S/C26H29NO6.ClH/c1-17-6-10-20(11-7-17)33-16-25(28)27-26(18-8-12-21(29-2)23(14-18)31-4)19-9-13-22(30-3)24(15-19)32-5;/h6-15,26H,16H2,1-5H3,(H,27,28);1H
InChIKeyCIRHKUYCPUXKIT-UHFFFAOYSA-N
XLogP4.74
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 7045097
N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide
CID 142609037
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 94048948
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
(3S)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 7045094

Frequently Asked Questions

What is the IUPAC name of N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride (CID 18774569) is N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride is COc1ccc(C(NC(=O)COc2ccc(C)cc2)c2ccc(OC)c(OC)c2)cc1OC.Cl.
What is the InChIKey of N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride?
The InChIKey is CIRHKUYCPUXKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6.ClH/c1-17-6-10-20(11-7-17)33-16-25(28)27-26(18-8-12-21(29-2)23(14-18)31-4)19-9-13-22(30-3)24(15-19)32-5;/h6-15,26H,16H2,1-5H3,(H,27,28);1H.
What are the key properties of N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride?
N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride has a molecular weight of 487.98 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 18774569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).