1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide

C21H25N3O2 — CID 109043408

IUPAC1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-3-24(4-2)19-13-11-18(12-14-19)23-21(26)16-7-5-15(6-8-16)20(25)22-17-9-10-17/h5-8,11-14,17H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKITWYVGXTVANIQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.68
Rot. Bonds7

About 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide

1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide (PubChem CID 109043408) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
PubChem CID109043408
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-3-24(4-2)19-13-11-18(12-14-19)23-21(26)16-7-5-15(6-8-16)20(25)22-17-9-10-17/h5-8,11-14,17H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKITWYVGXTVANIQ-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109247409
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957212
N-(4-ethylcyclohexyl)-4-(methylamino)benzamide
CID 62179103
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide (CID 109043408) is 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1.
What is the InChIKey of 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is KITWYVGXTVANIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-24(4-2)19-13-11-18(12-14-19)23-21(26)16-7-5-15(6-8-16)20(25)22-17-9-10-17/h5-8,11-14,17H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).