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

C23H29N3O3 — CID 109143459

IUPAC1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C23H29N3O3/c1-5-26(6-2)17-9-12-21(15(3)13-17)25-23(28)20-14-19(20)22(27)24-16-7-10-18(29-4)11-8-16/h7-13,19-20H,5-6,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyNIVJXANEOWTISB-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.06
Rot. Bonds8

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

1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143459) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143459
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C23H29N3O3/c1-5-26(6-2)17-9-12-21(15(3)13-17)25-23(28)20-14-19(20)22(27)24-16-7-10-18(29-4)11-8-16/h7-13,19-20H,5-6,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyNIVJXANEOWTISB-UHFFFAOYSA-N
XLogP4.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.06
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

1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133257
2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144211
2-N-(4-methoxyphenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140939
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(4-methoxyphenyl)prop-2-enamide
CID 108828637
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
1-N-(2-ethylphenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142010
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133622
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889588

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109143459) is 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide is CCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(OC)cc2)c(C)c1.
What is the InChIKey of 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is NIVJXANEOWTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-26(6-2)17-9-12-21(15(3)13-17)25-23(28)20-14-19(20)22(27)24-16-7-10-18(29-4)11-8-16/h7-13,19-20H,5-6,14H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).