N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide

C16H22N2O2 — CID 107299993

IUPACN-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCCCC(C)O
InChIInChI=1S/C16H22N2O2/c1-12-10-14-7-3-4-8-15(14)18(12)11-16(20)17-9-5-6-13(2)19/h3-4,7-8,10,13,19H,5-6,9,11H2,1-2H3,(H,17,20)
InChIKeyUTAKZIMKVRROIQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.23
Rot. Bonds6

About N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide

N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide (PubChem CID 107299993) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
PubChem CID107299993
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCCCC(C)O
InChIInChI=1S/C16H22N2O2/c1-12-10-14-7-3-4-8-15(14)18(12)11-16(20)17-9-5-6-13(2)19/h3-4,7-8,10,13,19H,5-6,9,11H2,1-2H3,(H,17,20)
InChIKeyUTAKZIMKVRROIQ-UHFFFAOYSA-N
XLogP2.23
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 36907060
N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide
CID 43060850
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
2-(2-methylindol-1-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 95604349
N-[(2S)-1-methoxypropan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 33342108
N-cyclopropyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]acetamide
CID 46418927
(2S)-1-(2-methylindol-1-yl)propan-2-ol
CID 177480957
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 107844939

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide (CID 107299993) is N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)NCCCC(C)O.
What is the InChIKey of N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide?
The InChIKey is UTAKZIMKVRROIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-10-14-7-3-4-8-15(14)18(12)11-16(20)17-9-5-6-13(2)19/h3-4,7-8,10,13,19H,5-6,9,11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide?
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 107299993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).