N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide

C17H25N3O — CID 80697180

IUPACN-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCCCCC(CN)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O/c1-2-3-6-14(11-18)20-17(21)10-9-13-12-19-16-8-5-4-7-15(13)16/h4-5,7-8,12,14,19H,2-3,6,9-11,18H2,1H3,(H,20,21)
InChIKeyIPYURVXPMMMNFZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.73
Rot. Bonds8

About N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide

N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 80697180) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID80697180
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCCCCC(CN)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O/c1-2-3-6-14(11-18)20-17(21)10-9-13-12-19-16-8-5-4-7-15(13)16/h4-5,7-8,12,14,19H,2-3,6,9-11,18H2,1H3,(H,20,21)
InChIKeyIPYURVXPMMMNFZ-UHFFFAOYSA-N
XLogP2.73
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 65190802
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(1H-indol-3-yl)propanoate
CID 40651024
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
3-(1H-indol-3-yl)-N-pentylpropanamide;3-(1H-indol-3-yl)propanoic acid;pentan-1-amine
CID 159813673
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
(2S,3S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentanoic acid
CID 7094652
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
CID 52781483
N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride
CID 119666826

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide (CID 80697180) is N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide is CCCCC(CN)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is IPYURVXPMMMNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-3-6-14(11-18)20-17(21)10-9-13-12-19-16-8-5-4-7-15(13)16/h4-5,7-8,12,14,19H,2-3,6,9-11,18H2,1H3,(H,20,21).
What are the key properties of N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide?
N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 287.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 80697180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).