N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide

C19H25N3O3 — CID 158097257

IUPACN-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide
SMILESNCCC(=O)NC1CCC(NC(=O)c2cccc3c2CC(=O)C3)CC1
InChIInChI=1S/C19H25N3O3/c20-9-8-18(24)21-13-4-6-14(7-5-13)22-19(25)16-3-1-2-12-10-15(23)11-17(12)16/h1-3,13-14H,4-11,20H2,(H,21,24)(H,22,25)
InChIKeyFOUYQELOWVCTIG-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.86
Rot. Bonds5

About N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide

N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide (PubChem CID 158097257) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide
PubChem CID158097257
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide
SMILESNCCC(=O)NC1CCC(NC(=O)c2cccc3c2CC(=O)C3)CC1
InChIInChI=1S/C19H25N3O3/c20-9-8-18(24)21-13-4-6-14(7-5-13)22-19(25)16-3-1-2-12-10-15(23)11-17(12)16/h1-3,13-14H,4-11,20H2,(H,21,24)(H,22,25)
InChIKeyFOUYQELOWVCTIG-UHFFFAOYSA-N
XLogP0.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide?
The IUPAC name of N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide (CID 158097257) is N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide.
What is the SMILES notation for N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide?
The canonical SMILES for N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide is NCCC(=O)NC1CCC(NC(=O)c2cccc3c2CC(=O)C3)CC1.
What is the InChIKey of N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide?
The InChIKey is FOUYQELOWVCTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c20-9-8-18(24)21-13-4-6-14(7-5-13)22-19(25)16-3-1-2-12-10-15(23)11-17(12)16/h1-3,13-14H,4-11,20H2,(H,21,24)(H,22,25).
What are the key properties of N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide?
N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide is sourced from PubChem (CID 158097257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).