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

C23H29N3O2 — CID 109135550

IUPAC1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C23H29N3O2/c1-4-26(5-2)19-12-10-18(11-13-19)25-23(28)21-14-20(21)22(27)24-15-17-8-6-16(3)7-9-17/h6-13,20-21H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyMNSMUERKVNNKDN-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.73
Rot. Bonds8

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

1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135550) 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-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135550
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C23H29N3O2/c1-4-26(5-2)19-12-10-18(11-13-19)25-23(28)21-14-20(21)22(27)24-15-17-8-6-16(3)7-9-17/h6-13,20-21H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyMNSMUERKVNNKDN-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
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

1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135543
1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135500
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823
1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135544
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131939
2-N-[4-(diethylamino)phenyl]-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143951
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135445

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135550) is 1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is CCN(CC)c1ccc(NC(=O)C2CC2C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is MNSMUERKVNNKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-26(5-2)19-12-10-18(11-13-19)25-23(28)21-14-20(21)22(27)24-15-17-8-6-16(3)7-9-17/h6-13,20-21H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.73, 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-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).