2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide

C17H24FN3O — CID 166262078

IUPAC2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(Cc1c[nH]c2ccc(F)cc12)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C17H24FN3O/c1-10(21-16(22)15(19)17(2,3)4)7-11-9-20-14-6-5-12(18)8-13(11)14/h5-6,8-10,15,20H,7,19H2,1-4H3,(H,21,22)
InChIKeyUGDCHKKYFCGJQJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.73
Rot. Bonds4

About 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide

2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide (PubChem CID 166262078) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
PubChem CID166262078
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(Cc1c[nH]c2ccc(F)cc12)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C17H24FN3O/c1-10(21-16(22)15(19)17(2,3)4)7-11-9-20-14-6-5-12(18)8-13(11)14/h5-6,8-10,15,20H,7,19H2,1-4H3,(H,21,22)
InChIKeyUGDCHKKYFCGJQJ-UHFFFAOYSA-N
XLogP2.73
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
3-[1-(5-fluoro-1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoic acid
CID 135267291
(2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 171764202
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-[[2-amino-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 78069026
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
CID 58748813
CID 58748813
(2S)-3-(5-fluoro-1H-indol-3-yl)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 132552390
N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine
CID 135277087

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide (CID 166262078) is 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide is CC(Cc1c[nH]c2ccc(F)cc12)NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is UGDCHKKYFCGJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-10(21-16(22)15(19)17(2,3)4)7-11-9-20-14-6-5-12(18)8-13(11)14/h5-6,8-10,15,20H,7,19H2,1-4H3,(H,21,22).
What are the key properties of 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide?
2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 305.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 166262078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).