1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide

C23H29N3O2 — CID 109142108

IUPAC1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C23H29N3O2/c1-4-16-7-9-17(10-8-16)24-22(27)20-15-21(20)23(28)25-18-11-13-19(14-12-18)26(5-2)6-3/h7-14,20-21H,4-6,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUHULKWMVQGIUTL-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.31
Rot. Bonds8

About 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide

1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142108) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142108
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C23H29N3O2/c1-4-16-7-9-17(10-8-16)24-22(27)20-15-21(20)23(28)25-18-11-13-19(14-12-18)26(5-2)6-3/h7-14,20-21H,4-6,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUHULKWMVQGIUTL-UHFFFAOYSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.31
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

2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135550
2-N-[4-(diethylamino)phenyl]-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143951
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131939
(1S,2R,4S)-N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 6952943
N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133406
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143947
1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142112
2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823135
2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142121

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109142108) is 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide is CCc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is UHULKWMVQGIUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-16-7-9-17(10-8-16)24-22(27)20-15-21(20)23(28)25-18-11-13-19(14-12-18)26(5-2)6-3/h7-14,20-21H,4-6,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).