N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide

C15H21N3O — CID 65190802

IUPACN-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCCC(CN)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-2-5-12(9-16)18-15(19)8-11-10-17-14-7-4-3-6-13(11)14/h3-4,6-7,10,12,17H,2,5,8-9,16H2,1H3,(H,18,19)
InChIKeyYYFVCHBGOWRELE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.95
Rot. Bonds6

About N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide

N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 65190802) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID65190802
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCCC(CN)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-2-5-12(9-16)18-15(19)8-11-10-17-14-7-4-3-6-13(11)14/h3-4,6-7,10,12,17H,2,5,8-9,16H2,1H3,(H,18,19)
InChIKeyYYFVCHBGOWRELE-UHFFFAOYSA-N
XLogP1.95
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 80697180
N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 63996376
N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride
CID 119666826
(2S)-6-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 57285552
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115667804
N-(1-ethoxypropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 47903557
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364
ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid
CID 143041569
(2S)-5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoate
CID 7097451

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide (CID 65190802) is N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide is CCCC(CN)NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is YYFVCHBGOWRELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-5-12(9-16)18-15(19)8-11-10-17-14-7-4-3-6-13(11)14/h3-4,6-7,10,12,17H,2,5,8-9,16H2,1H3,(H,18,19).
What are the key properties of N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 65190802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).