N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide

C15H18N2O2 — CID 102913058

IUPACN-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide
SMILESO=C(CCn1ccc2ccc(CO)cc21)NC1CC1
InChIInChI=1S/C15H18N2O2/c18-10-11-1-2-12-5-7-17(14(12)9-11)8-6-15(19)16-13-3-4-13/h1-2,5,7,9,13,18H,3-4,6,8,10H2,(H,16,19)
InChIKeyAUGPCSNQLVGPFI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.80
Rot. Bonds5

About N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide

N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide (PubChem CID 102913058) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide
PubChem CID102913058
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide
SMILESO=C(CCn1ccc2ccc(CO)cc21)NC1CC1
InChIInChI=1S/C15H18N2O2/c18-10-11-1-2-12-5-7-17(14(12)9-11)8-6-15(19)16-13-3-4-13/h1-2,5,7,9,13,18H,3-4,6,8,10H2,(H,16,19)
InChIKeyAUGPCSNQLVGPFI-UHFFFAOYSA-N
XLogP1.80
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide
CID 102913062
N-cyclopropyl-3-(5-methoxyindol-1-yl)propanamide
CID 116619419
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102913346
(1-but-3-ynylindol-6-yl)methanol
CID 102913204
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
N-cyclopropyl-3-(7-formylindol-1-yl)propanamide
CID 102909918
3-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102916239
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 46278693
[1-(3-phenylpropyl)indol-6-yl]methanol
CID 102913034

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide (CID 102913058) is N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide is O=C(CCn1ccc2ccc(CO)cc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide?
The InChIKey is AUGPCSNQLVGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-10-11-1-2-12-5-7-17(14(12)9-11)8-6-15(19)16-13-3-4-13/h1-2,5,7,9,13,18H,3-4,6,8,10H2,(H,16,19).
What are the key properties of N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide?
N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide is sourced from PubChem (CID 102913058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).