N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide

C24H27N3O2 — CID 55584532

IUPACN-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-16(17-11-13-20(14-12-17)27-24(29)18-9-10-18)26-23(28)8-4-5-19-15-25-22-7-3-2-6-21(19)22/h2-3,6-7,11-16,18,25H,4-5,8-10H2,1H3,(H,26,28)(H,27,29)
InChIKeyMIHWRJUTTZUQMM-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.72
Rot. Bonds8

About N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55584532) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55584532
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-16(17-11-13-20(14-12-17)27-24(29)18-9-10-18)26-23(28)8-4-5-19-15-25-22-7-3-2-6-21(19)22/h2-3,6-7,11-16,18,25H,4-5,8-10H2,1H3,(H,26,28)(H,27,29)
InChIKeyMIHWRJUTTZUQMM-UHFFFAOYSA-N
XLogP4.72
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-[4-[1-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46475023
N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 120609013
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]-N,4-dimethylpentanamide
CID 52632899
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
N-(2-cyclopropylpropyl)-4-(1H-indol-3-yl)butanamide
CID 115591193

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 55584532) is N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is MIHWRJUTTZUQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16(17-11-13-20(14-12-17)27-24(29)18-9-10-18)26-23(28)8-4-5-19-15-25-22-7-3-2-6-21(19)22/h2-3,6-7,11-16,18,25H,4-5,8-10H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55584532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).