1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide

C21H28N4O2 — CID 25051606

IUPAC1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCN(CC)CCN(C)C(=O)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C21H28N4O2/c1-4-25(5-2)15-14-24(3)21(27)17-12-10-16(11-13-17)20(26)23-19-9-7-6-8-18(19)22/h6-13H,4-5,14-15,22H2,1-3H3,(H,23,26)
InChIKeyPKZZIHPNPUYJBZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.93
Rot. Bonds8

About 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide

1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 25051606) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID25051606
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCN(CC)CCN(C)C(=O)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C21H28N4O2/c1-4-25(5-2)15-14-24(3)21(27)17-12-10-16(11-13-17)20(26)23-19-9-7-6-8-18(19)22/h6-13H,4-5,14-15,22H2,1-3H3,(H,23,26)
InChIKeyPKZZIHPNPUYJBZ-UHFFFAOYSA-N
XLogP2.93
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-[bis(2-chloroethyl)amino]benzamide
CID 141472495
6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 11525127
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 25052283
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-[[benzylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 58001196
1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119422209
N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide
CID 170619961
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide (CID 25051606) is 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide is CCN(CC)CCN(C)C(=O)c1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is PKZZIHPNPUYJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-25(5-2)15-14-24(3)21(27)17-12-10-16(11-13-17)20(26)23-19-9-7-6-8-18(19)22/h6-13H,4-5,14-15,22H2,1-3H3,(H,23,26).
What are the key properties of 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide?
1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 25051606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).