N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid

C22H28N2O6 — CID 158377608

IUPACN-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid
SMILESCCN(CC)c1ccc(C)c(NC(C)=O)c1.COc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C13H20N2O.C9H8O5/c1-5-15(6-2)12-8-7-10(3)13(9-12)14-11(4)16;1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h7-9H,5-6H2,1-4H3,(H,14,16);2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGVJXPHBZDWDDNE-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.89
Rot. Bonds7

About N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid

N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid (PubChem CID 158377608) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid
PubChem CID158377608
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC NameN-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid
SMILESCCN(CC)c1ccc(C)c(NC(C)=O)c1.COc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C13H20N2O.C9H8O5/c1-5-15(6-2)12-8-7-10(3)13(9-12)14-11(4)16;1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h7-9H,5-6H2,1-4H3,(H,14,16);2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGVJXPHBZDWDDNE-UHFFFAOYSA-N
XLogP3.89
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dibutylamino)-2-methylphenyl]acetamide
CID 148976423
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 113001657
N-[2-[[2-acetamido-4-(diethylamino)phenyl]-[4-(diethylamino)-2-methylphenyl]methyl]-5-(diethylamino)phenyl]acetamide
CID 20537677
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
CID 142930893
1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
CID 108869515
3-ethoxycarbonyl-5-methoxybenzoic acid
CID 15472357
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(4-methoxyphenyl)prop-2-enamide
CID 108828637
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid?
The IUPAC name of N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid (CID 158377608) is N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid.
What is the SMILES notation for N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid?
The canonical SMILES for N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid is CCN(CC)c1ccc(C)c(NC(C)=O)c1.COc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid?
The InChIKey is GVJXPHBZDWDDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C9H8O5/c1-5-15(6-2)12-8-7-10(3)13(9-12)14-11(4)16;1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h7-9H,5-6H2,1-4H3,(H,14,16);2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid?
N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid has a molecular weight of 416.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 158377608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).