N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide

C15H22N2O2 — CID 104938314

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O2/c1-10(2)13(6-8-18)17-15(19)12-3-4-14-11(9-12)5-7-16-14/h3-4,9-10,13,16,18H,5-8H2,1-2H3,(H,17,19)
InChIKeyGIOCVBWGNMNBHR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.79
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 104938314) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID104938314
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O2/c1-10(2)13(6-8-18)17-15(19)12-3-4-14-11(9-12)5-7-16-14/h3-4,9-10,13,16,18H,5-8H2,1-2H3,(H,17,19)
InChIKeyGIOCVBWGNMNBHR-UHFFFAOYSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106161572
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
CID 103869735
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612
(2R)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-4-methylsulfanylbutanoic acid
CID 104909365
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43534403

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide (CID 104938314) is N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide is CC(C)C(CCO)NC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is GIOCVBWGNMNBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)13(6-8-18)17-15(19)12-3-4-14-11(9-12)5-7-16-14/h3-4,9-10,13,16,18H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 104938314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).