N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide

C22H29NO5 — CID 9084981

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide
SMILESCCOCc1cc(C(=O)N(C)Cc2cc(OC)c(OC)cc2C)ccc1OC
InChIInChI=1S/C22H29NO5/c1-7-28-14-18-11-16(8-9-19(18)25-4)22(24)23(3)13-17-12-21(27-6)20(26-5)10-15(17)2/h8-12H,7,13-14H2,1-6H3
InChIKeyFAZMXKSVKOUEOQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.83
Rot. Bonds9

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide (PubChem CID 9084981) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide
PubChem CID9084981
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide
SMILESCCOCc1cc(C(=O)N(C)Cc2cc(OC)c(OC)cc2C)ccc1OC
InChIInChI=1S/C22H29NO5/c1-7-28-14-18-11-16(8-9-19(18)25-4)22(24)23(3)13-17-12-21(27-6)20(26-5)10-15(17)2/h8-12H,7,13-14H2,1-6H3
InChIKeyFAZMXKSVKOUEOQ-UHFFFAOYSA-N
XLogP3.83
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-ethoxy-N,3-dimethylbenzamide
CID 86938006
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 38009809
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
N-(3,4-dimethoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 34855718
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
CID 120690586
3-[(2,5-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456382
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619530
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide (CID 9084981) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide is CCOCc1cc(C(=O)N(C)Cc2cc(OC)c(OC)cc2C)ccc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide?
The InChIKey is FAZMXKSVKOUEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-7-28-14-18-11-16(8-9-19(18)25-4)22(24)23(3)13-17-12-21(27-6)20(26-5)10-15(17)2/h8-12H,7,13-14H2,1-6H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide has a molecular weight of 387.48 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 9084981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).