N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

C22H29NO5 — CID 9084976

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1cc(CCC(=O)N(C)Cc2cc(OC)c(OC)cc2C)cc(OC)c1
InChIInChI=1S/C22H29NO5/c1-15-9-20(27-5)21(28-6)12-17(15)14-23(2)22(24)8-7-16-10-18(25-3)13-19(11-16)26-4/h9-13H,7-8,14H2,1-6H3
InChIKeyDCQWQUMPRZTYDG-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.62
Rot. Bonds9

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 9084976) 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-(3,5-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
PubChem CID9084976
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1cc(CCC(=O)N(C)Cc2cc(OC)c(OC)cc2C)cc(OC)c1
InChIInChI=1S/C22H29NO5/c1-15-9-20(27-5)21(28-6)12-17(15)14-23(2)22(24)8-7-16-10-18(25-3)13-19(11-16)26-4/h9-13H,7-8,14H2,1-6H3
InChIKeyDCQWQUMPRZTYDG-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
CID 87000731
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279
3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
CID 112826776
tert-butyl N-[3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-oxopropyl]carbamate
CID 9277344
tert-butyl N-[4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-4-oxobutyl]carbamate
CID 9277255
(3R)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4,4,4-trifluoro-3-hydroxy-N,3-dimethylbutanamide
CID 9084962
3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 9093129
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167934
3-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]benzoic acid
CID 120690589
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194111

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (CID 9084976) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide is COc1cc(CCC(=O)N(C)Cc2cc(OC)c(OC)cc2C)cc(OC)c1.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is DCQWQUMPRZTYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-15-9-20(27-5)21(28-6)12-17(15)14-23(2)22(24)8-7-16-10-18(25-3)13-19(11-16)26-4/h9-13H,7-8,14H2,1-6H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 387.48 g/mol, XLogP of 3.62, 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-(3,5-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 9084976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).