2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide

C15H23N3O — CID 59768558

IUPAC2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
SMILESCC(C)(C)NC(=O)C(N)CC1CNc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,3)18-14(19)12(16)8-10-9-17-13-7-5-4-6-11(10)13/h4-7,10,12,17H,8-9,16H2,1-3H3,(H,18,19)
InChIKeyXRVDHIMJHSYODL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide

2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide (PubChem CID 59768558) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
PubChem CID59768558
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
SMILESCC(C)(C)NC(=O)C(N)CC1CNc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,3)18-14(19)12(16)8-10-9-17-13-7-5-4-6-11(10)13/h4-7,10,12,17H,8-9,16H2,1-3H3,(H,18,19)
InChIKeyXRVDHIMJHSYODL-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(deuterioamino)-4-(2,3-dihydro-1H-indol-3-yl)butan-2-one
CID 158622438
[(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium
CID 162469017
3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide
CID 106096636
3-(2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117199439
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927350
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 80572442
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 80573453
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
CID 40546938
methyl (2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 11256738
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-propylpentanamide
CID 82985554
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
4-(2,3-dihydro-1H-indol-3-yl)butanamide
CID 67613869

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide (CID 59768558) is 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide is CC(C)(C)NC(=O)C(N)CC1CNc2ccccc21.
What is the InChIKey of 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide?
The InChIKey is XRVDHIMJHSYODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)18-14(19)12(16)8-10-9-17-13-7-5-4-6-11(10)13/h4-7,10,12,17H,8-9,16H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide?
2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide is sourced from PubChem (CID 59768558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).