2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide

C13H17N3O — CID 582689

IUPAC2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)CN
InChIInChI=1S/C13H17N3O/c1-9(16-13(17)7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7,14H2,1H3,(H,16,17)
InChIKeySFTSSVCRTXAUQR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.17
Rot. Bonds4

About 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide

2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide (PubChem CID 582689) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
PubChem CID582689
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)CN
InChIInChI=1S/C13H17N3O/c1-9(16-13(17)7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7,14H2,1H3,(H,16,17)
InChIKeySFTSSVCRTXAUQR-UHFFFAOYSA-N
XLogP1.17
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 25232584
2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid
CID 14308361
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
sodium 3-[2-(3-sulfosulfanylpropanoylamino)propyl]-1H-indole
CID 126465875
(E)-4-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]-4-oxobut-2-enoate
CID 6998653
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 18491694

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide (CID 582689) is 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide is CC(Cc1c[nH]c2ccccc12)NC(=O)CN.
What is the InChIKey of 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide?
The InChIKey is SFTSSVCRTXAUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(16-13(17)7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide?
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.17, 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-(1H-indol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 582689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).