2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide

C15H21N3O — CID 67236347

IUPAC2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide
SMILESCCC(N)C(=O)NCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C15H21N3O/c1-2-13(16)15(19)17-9-5-7-12-10-11-6-3-4-8-14(11)18-12/h3-4,6,8,10,13,18H,2,5,7,9,16H2,1H3,(H,17,19)
InChIKeyPOVITLCXWOIBJB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.95
Rot. Bonds6

About 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide

2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide (PubChem CID 67236347) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide
PubChem CID67236347
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide
SMILESCCC(N)C(=O)NCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C15H21N3O/c1-2-13(16)15(19)17-9-5-7-12-10-11-6-3-4-8-14(11)18-12/h3-4,6,8,10,13,18H,2,5,7,9,16H2,1H3,(H,17,19)
InChIKeyPOVITLCXWOIBJB-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

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440140
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
methyl (2S)-2-[2-(1H-indol-2-yl)ethylamino]butanoate
CID 124625235
(3S)-3-amino-4-(1H-indol-2-ylmethylamino)-4-oxobutanoic acid
CID 69296115
(2S)-2-amino-N-(1H-indol-2-ylmethyl)-3,3-dimethylbutanamide
CID 90653128
6-[2-(1H-indol-2-ylmethyl)butanoylamino]-2-(propan-2-ylamino)hexanoic acid
CID 123174709
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
CID 75385727
2-hexyl-1H-indole
CID 14299246
2-heptyl-1H-indole
CID 3719004

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide?
The IUPAC name of 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide (CID 67236347) is 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide.
What is the SMILES notation for 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide?
The canonical SMILES for 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide is CCC(N)C(=O)NCCCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide?
The InChIKey is POVITLCXWOIBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-13(16)15(19)17-9-5-7-12-10-11-6-3-4-8-14(11)18-12/h3-4,6,8,10,13,18H,2,5,7,9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide?
2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide 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 2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide is sourced from PubChem (CID 67236347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).