3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide

C18H26N4O2 — CID 146152941

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide
SMILESC#CCCC1(CCC(=O)NC2CCN(C3CCCCC3)C2=O)N=N1
InChIInChI=1S/C18H26N4O2/c1-2-3-11-18(20-21-18)12-9-16(23)19-15-10-13-22(17(15)24)14-7-5-4-6-8-14/h1,14-15H,3-13H2,(H,19,23)
InChIKeyUINSKFPVILOAQR-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.39
Rot. Bonds7

About 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide (PubChem CID 146152941) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide
PubChem CID146152941
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide
SMILESC#CCCC1(CCC(=O)NC2CCN(C3CCCCC3)C2=O)N=N1
InChIInChI=1S/C18H26N4O2/c1-2-3-11-18(20-21-18)12-9-16(23)19-15-10-13-22(17(15)24)14-7-5-4-6-8-14/h1,14-15H,3-13H2,(H,19,23)
InChIKeyUINSKFPVILOAQR-UHFFFAOYSA-N
XLogP2.39
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]pyrrolidin-3-yl]acetamide
CID 164639957
3-(3-but-3-ynyldiazirin-3-yl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 146142383
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]propanamide
CID 167844579
3-(3-but-3-ynyldiazirin-3-yl)-N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)propanamide
CID 168141389
3-(3-but-3-ynyldiazirin-3-yl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 132391181
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 132391188
3-(3-but-3-ynyldiazirin-3-yl)-N-(2-pyrrolidin-1-ylbutyl)propanamide
CID 132391194
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 132391226
2-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 132391227
3-(3-but-3-ynyldiazirin-3-yl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 132391269
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 132391299
2-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 132391322

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide (CID 146152941) is 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide is C#CCCC1(CCC(=O)NC2CCN(C3CCCCC3)C2=O)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide?
The InChIKey is UINSKFPVILOAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-2-3-11-18(20-21-18)12-9-16(23)19-15-10-13-22(17(15)24)14-7-5-4-6-8-14/h1,14-15H,3-13H2,(H,19,23).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 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-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 146152941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).