N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide

C23H23N3O2 — CID 154839678

IUPACN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1C2Cc3ccccc3C21
InChIInChI=1S/C23H23N3O2/c1-13(27)25-20(11-15-12-24-19-9-5-4-7-16(15)19)23(28)26-22-18-10-14-6-2-3-8-17(14)21(18)22/h2-9,12,18,20-22,24H,10-11H2,1H3,(H,25,27)(H,26,28)
InChIKeySLFMBCMBAPRCPP-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.67
Rot. Bonds5

About N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide (PubChem CID 154839678) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide
PubChem CID154839678
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1C2Cc3ccccc3C21
InChIInChI=1S/C23H23N3O2/c1-13(27)25-20(11-15-12-24-19-9-5-4-7-16(15)19)23(28)26-22-18-10-14-6-2-3-8-17(14)21(18)22/h2-9,12,18,20-22,24H,10-11H2,1H3,(H,25,27)(H,26,28)
InChIKeySLFMBCMBAPRCPP-UHFFFAOYSA-N
XLogP2.67
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide (CID 154839678) is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1C2Cc3ccccc3C21.
What is the InChIKey of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide?
The InChIKey is SLFMBCMBAPRCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-13(27)25-20(11-15-12-24-19-9-5-4-7-16(15)19)23(28)26-22-18-10-14-6-2-3-8-17(14)21(18)22/h2-9,12,18,20-22,24H,10-11H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide?
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide has a molecular weight of 373.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 154839678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).