2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

C14H28N4O2 — CID 115969289

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCC(C(C)N)C1
InChIInChI=1S/C14H28N4O2/c1-4-6-16-13(19)9-17(3)14(20)10-18-7-5-12(8-18)11(2)15/h11-12H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyUJSXZDXQCPEVNQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.36
Rot. Bonds7

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (PubChem CID 115969289) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
PubChem CID115969289
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCC(C(C)N)C1
InChIInChI=1S/C14H28N4O2/c1-4-6-16-13(19)9-17(3)14(20)10-18-7-5-12(8-18)11(2)15/h11-12H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyUJSXZDXQCPEVNQ-UHFFFAOYSA-N
XLogP-0.36
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 65245071
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
CID 63595362
N-methyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 134055105
N-methyl-2-[(3R)-3-methylpiperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 104975660
2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62655482
ethyl 4-[[2-[3-(1-aminoethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 103976239
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(butylcarbamoyl)acetamide
CID 112630196
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119916207
N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031706
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
(2S)-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910417
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (CID 115969289) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is CCCNC(=O)CN(C)C(=O)CN1CCC(C(C)N)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The InChIKey is UJSXZDXQCPEVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-6-16-13(19)9-17(3)14(20)10-18-7-5-12(8-18)11(2)15/h11-12H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide has a molecular weight of 284.40 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 115969289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).