N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide

C14H19NO2 — CID 115409893

IUPACN-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)CONC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-10(2)9-17-15-14(16)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyRUPPRCPBLANAHC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.49
Rot. Bonds4

About N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide

N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 115409893) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID115409893
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)CONC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-10(2)9-17-15-14(16)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyRUPPRCPBLANAHC-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
CID 51681667
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide (CID 115409893) is N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide is CC(C)CONC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is RUPPRCPBLANAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)9-17-15-14(16)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 115409893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).