N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide

C16H23NO2 — CID 106703911

IUPACN-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-11(2)7-15(18)10-17-16(19)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14-15,18H,7-10H2,1-2H3,(H,17,19)
InChIKeySDSQSSBIAUWQBU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.92
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106703911) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106703911
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-11(2)7-15(18)10-17-16(19)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14-15,18H,7-10H2,1-2H3,(H,17,19)
InChIKeySDSQSSBIAUWQBU-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylpropanoic acid
CID 106892370
4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid
CID 106892445
N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894277
N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894304
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
CID 106892446
N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894260
N-(2-hydroxy-4-methylpentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 103771609
(3R)-N-(2-hydroxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113492215
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
CID 103770925
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106703911) is N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide is CC(C)CC(O)CNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is SDSQSSBIAUWQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)7-15(18)10-17-16(19)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14-15,18H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106703911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).