N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide

C13H25N3O — CID 79278573

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C13H25N3O/c1-3-6-14-10-13(17)15-9-12(2)11-16-7-4-5-8-16/h3,12,14H,1,4-11H2,2H3,(H,15,17)
InChIKeyQDXITNJXMBQLEV-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.61
Rot. Bonds8

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79278573) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
PubChem CID79278573
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C13H25N3O/c1-3-6-14-10-13(17)15-9-12(2)11-16-7-4-5-8-16/h3,12,14H,1,4-11H2,2H3,(H,15,17)
InChIKeyQDXITNJXMBQLEV-UHFFFAOYSA-N
XLogP0.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79277951
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 112605287
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
2-(1-hydroxycyclohexyl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 111331945
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
CID 112617205

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide (CID 79278573) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCC(C)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is QDXITNJXMBQLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-6-14-10-13(17)15-9-12(2)11-16-7-4-5-8-16/h3,12,14H,1,4-11H2,2H3,(H,15,17).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).