2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide

C17H25N3O — CID 175938556

IUPAC2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide
SMILESCCC(CC)CNC(Cc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C17H25N3O/c1-3-12(4-2)10-19-16(17(18)21)9-13-11-20-15-8-6-5-7-14(13)15/h5-8,11-12,16,19-20H,3-4,9-10H2,1-2H3,(H2,18,21)
InChIKeyRQCGXEPFPJKVTE-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.59
Rot. Bonds8

About 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide

2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide (PubChem CID 175938556) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide
PubChem CID175938556
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide
SMILESCCC(CC)CNC(Cc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C17H25N3O/c1-3-12(4-2)10-19-16(17(18)21)9-13-11-20-15-8-6-5-7-14(13)15/h5-8,11-12,16,19-20H,3-4,9-10H2,1-2H3,(H2,18,21)
InChIKeyRQCGXEPFPJKVTE-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1H-indol-3-ylmethyl)butanamide
CID 155450153
3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide
CID 177167804
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
(2S)-2-(ethylamino)-3-(1H-indol-3-yl)propanethioic S-acid
CID 175924820
2-[[(2S)-2-aminobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 79023880
N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 129132728
2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 69130545
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
benzyl N-[(2S,3R)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 92642195
(3R)-3-acetamido-4-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 170278600
(2S)-3-(1H-indol-3-yl)-2-(2-oxopropylamino)propanoic acid
CID 175532866

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide (CID 175938556) is 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide is CCC(CC)CNC(Cc1c[nH]c2ccccc12)C(N)=O.
What is the InChIKey of 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide?
The InChIKey is RQCGXEPFPJKVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-12(4-2)10-19-16(17(18)21)9-13-11-20-15-8-6-5-7-14(13)15/h5-8,11-12,16,19-20H,3-4,9-10H2,1-2H3,(H2,18,21).
What are the key properties of 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide?
2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide has a molecular weight of 287.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 175938556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).