3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide

C19H22N4O2 — CID 138986863

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide
SMILESC#CCCC1(CCC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)N=N1
InChIInChI=1S/C19H22N4O2/c1-2-3-9-19(22-23-19)10-8-18(25)21-15(13-24)11-14-12-20-17-7-5-4-6-16(14)17/h1,4-7,12,15,20,24H,3,8-11,13H2,(H,21,25)/t15-/m1/s1
InChIKeyCTNWJUWKHGOYLK-OAHLLOKOSA-N
MW338.41 g/mol
LogP2.54
Rot. Bonds9

About 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide (PubChem CID 138986863) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide
PubChem CID138986863
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide
SMILESC#CCCC1(CCC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)N=N1
InChIInChI=1S/C19H22N4O2/c1-2-3-9-19(22-23-19)10-8-18(25)21-15(13-24)11-14-12-20-17-7-5-4-6-16(14)17/h1,4-7,12,15,20,24H,3,8-11,13H2,(H,21,25)/t15-/m1/s1
InChIKeyCTNWJUWKHGOYLK-OAHLLOKOSA-N
XLogP2.54
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide 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

tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide
CID 102399250
2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135337288
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772
1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95762546
(E)-3-(3,5-dichlorophenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]prop-2-enamide
CID 155946346
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
9-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]phenyl]non-8-ynoic acid
CID 25207554
2-ethoxy-5-ethynyl-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 25127425
3-(4-hydroxybut-1-ynyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 74428987
(2S)-2-amino-N-hex-5-yn-3-yl-3-(1H-indol-3-yl)propanamide
CID 104864189

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide (CID 138986863) is 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide is C#CCCC1(CCC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide?
The InChIKey is CTNWJUWKHGOYLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-3-9-19(22-23-19)10-8-18(25)21-15(13-24)11-14-12-20-17-7-5-4-6-16(14)17/h1,4-7,12,15,20,24H,3,8-11,13H2,(H,21,25)/t15-/m1/s1.
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide is sourced from PubChem (CID 138986863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).