1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide

C21H26N4O2 — CID 109143918

IUPAC1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O2/c1-24(2)16-9-5-14(6-10-16)22-20(26)18-13-19(18)21(27)23-15-7-11-17(12-8-15)25(3)4/h5-12,18-19H,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyKGGAHYFZCOLJAD-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.03
Rot. Bonds6

About 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide

1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109143918) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109143918
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O2/c1-24(2)16-9-5-14(6-10-16)22-20(26)18-13-19(18)21(27)23-15-7-11-17(12-8-15)25(3)4/h5-12,18-19H,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyKGGAHYFZCOLJAD-UHFFFAOYSA-N
XLogP3.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[4-(dimethylamino)phenyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141064
2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 109134762
cis-(1S,2R)-2-[[4-(dimethylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41097683
2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823317
1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139479
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
CID 112520495
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide (CID 109143918) is 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide is CN(C)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is KGGAHYFZCOLJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24(2)16-9-5-14(6-10-16)22-20(26)18-13-19(18)21(27)23-15-7-11-17(12-8-15)25(3)4/h5-12,18-19H,13H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide?
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).