2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide

C15H26N4O2 — CID 166846146

IUPAC2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide
SMILESC#CCN(CCNC(=O)C(C)(C)N)CC(=O)N1CCCC1
InChIInChI=1S/C15H26N4O2/c1-4-8-18(11-7-17-14(21)15(2,3)16)12-13(20)19-9-5-6-10-19/h1H,5-12,16H2,2-3H3,(H,17,21)
InChIKeyVRYFBXYSEYOMDZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.60
Rot. Bonds7

About 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide

2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide (PubChem CID 166846146) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide
PubChem CID166846146
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide
SMILESC#CCN(CCNC(=O)C(C)(C)N)CC(=O)N1CCCC1
InChIInChI=1S/C15H26N4O2/c1-4-8-18(11-7-17-14(21)15(2,3)16)12-13(20)19-9-5-6-10-19/h1H,5-12,16H2,2-3H3,(H,17,21)
InChIKeyVRYFBXYSEYOMDZ-UHFFFAOYSA-N
XLogP-0.60
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
CID 170289305
3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108960243
2-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]-N-propylacetamide
CID 87015051
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
3-[[2-(azepan-1-yl)-2-oxoethyl]-(2,2-dimethylpropyl)amino]propanenitrile
CID 56787441
methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955381
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
3-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 54899793
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
CID 162388275
3-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010359
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide (CID 166846146) is 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide is C#CCN(CCNC(=O)C(C)(C)N)CC(=O)N1CCCC1.
What is the InChIKey of 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide?
The InChIKey is VRYFBXYSEYOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-8-18(11-7-17-14(21)15(2,3)16)12-13(20)19-9-5-6-10-19/h1H,5-12,16H2,2-3H3,(H,17,21).
What are the key properties of 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide?
2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide has a molecular weight of 294.40 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-ynylamino]ethyl]propanamide is sourced from PubChem (CID 166846146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).