N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide

C24H29N3O2 — CID 113210892

IUPACN-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(c3c[nH]c4ccc(OC)cc34)CC2)c(C)c1
InChIInChI=1S/C24H29N3O2/c1-5-27(6-2)17-7-9-21(16(3)13-17)26-23(28)24(11-12-24)20-15-25-22-10-8-18(29-4)14-19(20)22/h7-10,13-15,25H,5-6,11-12H2,1-4H3,(H,26,28)
InChIKeyUVEFZJUMHMBFLQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.00
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113210892) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113210892
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(c3c[nH]c4ccc(OC)cc34)CC2)c(C)c1
InChIInChI=1S/C24H29N3O2/c1-5-27(6-2)17-7-9-21(16(3)13-17)26-23(28)24(11-12-24)20-15-25-22-10-8-18(29-4)14-19(20)22/h7-10,13-15,25H,5-6,11-12H2,1-4H3,(H,26,28)
InChIKeyUVEFZJUMHMBFLQ-UHFFFAOYSA-N
XLogP5.00
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.00
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

N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210875
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206131
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
N-(2-bromo-4-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210874
1-(5-methoxy-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113210901
methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113210863
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
N-ethyl-1-(5-methoxy-1H-indol-3-yl)-N-phenylcyclopropane-1-carboxamide
CID 113210822
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210743
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113210892) is N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide is CCN(CC)c1ccc(NC(=O)C2(c3c[nH]c4ccc(OC)cc34)CC2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is UVEFZJUMHMBFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-5-27(6-2)17-7-9-21(16(3)13-17)26-23(28)24(11-12-24)20-15-25-22-10-8-18(29-4)14-19(20)22/h7-10,13-15,25H,5-6,11-12H2,1-4H3,(H,26,28).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).