N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide

C28H33NO6 — CID 24548570

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCCOc1ccc(CN(CC)C(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1OC
InChIInChI=1S/C28H33NO6/c1-6-29(18-21-13-14-23(34-7-2)24(15-21)31-3)28(30)22-16-25(32-4)27(26(17-22)33-5)35-19-20-11-9-8-10-12-20/h8-17H,6-7,18-19H2,1-5H3
InChIKeyYCWDCVLECFAZEW-UHFFFAOYSA-N
MW479.57 g/mol
LogP5.35
Rot. Bonds12

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 24548570) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID24548570
Molecular FormulaC28H33NO6
Molecular Weight479.57 g/mol
Exact Mass479.23
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCCOc1ccc(CN(CC)C(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1OC
InChIInChI=1S/C28H33NO6/c1-6-29(18-21-13-14-23(34-7-2)24(15-21)31-3)28(30)22-16-25(32-4)27(26(17-22)33-5)35-19-20-11-9-8-10-12-20/h8-17H,6-7,18-19H2,1-5H3
InChIKeyYCWDCVLECFAZEW-UHFFFAOYSA-N
XLogP5.35
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-phenylmethoxybenzamide
CID 8933781
4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-oxo-1H-quinoline-3-carboxamide
CID 24655966
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-2-ethoxyphenoxy]acetic acid
CID 66775318
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24676961

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 24548570) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide is CCOc1ccc(CN(CC)C(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is YCWDCVLECFAZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO6/c1-6-29(18-21-13-14-23(34-7-2)24(15-21)31-3)28(30)22-16-25(32-4)27(26(17-22)33-5)35-19-20-11-9-8-10-12-20/h8-17H,6-7,18-19H2,1-5H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 479.57 g/mol, XLogP of 5.35, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 24548570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).