N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide

C16H24N2O — CID 60849517

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O/c1-12(2)17-10-4-7-16(19)18-15-9-8-13-5-3-6-14(13)11-15/h8-9,11-12,17H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyLMKGCTZPPXXWHU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.89
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide

N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide (PubChem CID 60849517) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
PubChem CID60849517
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O/c1-12(2)17-10-4-7-16(19)18-15-9-8-13-5-3-6-14(13)11-15/h8-9,11-12,17H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyLMKGCTZPPXXWHU-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
CID 60928255
N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide
CID 61249519
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8920009

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide (CID 60849517) is N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide?
The InChIKey is LMKGCTZPPXXWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)17-10-4-7-16(19)18-15-9-8-13-5-3-6-14(13)11-15/h8-9,11-12,17H,3-7,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60849517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).