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

C13H18N2O2 — CID 83177553

IUPACN-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(CCO)NC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O2/c1-9(5-7-16)15-13(17)11-2-3-12-10(8-11)4-6-14-12/h2-3,8-9,14,16H,4-7H2,1H3,(H,15,17)
InChIKeyXPUDHJWLTBSCAW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.16
Rot. Bonds4

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

N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 83177553) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID83177553
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(CCO)NC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O2/c1-9(5-7-16)15-13(17)11-2-3-12-10(8-11)4-6-14-12/h2-3,8-9,14,16H,4-7H2,1H3,(H,15,17)
InChIKeyXPUDHJWLTBSCAW-UHFFFAOYSA-N
XLogP1.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938314
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
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
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43534403

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (CID 83177553) is N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is CC(CCO)NC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is XPUDHJWLTBSCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(5-7-16)15-13(17)11-2-3-12-10(8-11)4-6-14-12/h2-3,8-9,14,16H,4-7H2,1H3,(H,15,17).
What are the key properties of N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 83177553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).