1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide

C22H28N2O3 — CID 109055482

IUPAC1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C22H28N2O3/c1-16(2)10-12-23-21(25)18-7-5-8-19(15-18)22(26)24-13-11-17-6-4-9-20(14-17)27-3/h4-9,14-16H,10-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIFRQDOZRRQGHBA-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.44
Rot. Bonds9

About 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide

1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide (PubChem CID 109055482) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
PubChem CID109055482
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C22H28N2O3/c1-16(2)10-12-23-21(25)18-7-5-8-19(15-18)22(26)24-13-11-17-6-4-9-20(14-17)27-3/h4-9,14-16H,10-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIFRQDOZRRQGHBA-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109236720
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110979499
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 109025637
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248666
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109055500

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide (CID 109055482) is 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide is COc1cccc(CCNC(=O)c2cccc(C(=O)NCCC(C)C)c2)c1.
What is the InChIKey of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The InChIKey is IFRQDOZRRQGHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)10-12-23-21(25)18-7-5-8-19(15-18)22(26)24-13-11-17-6-4-9-20(14-17)27-3/h4-9,14-16H,10-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).