N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

C15H28N4O3 — CID 134031706

IUPACN,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCCC1C(=O)N(C)C
InChIInChI=1S/C15H28N4O3/c1-5-8-16-13(20)10-18(4)14(21)11-19-9-6-7-12(19)15(22)17(2)3/h12H,5-11H2,1-4H3,(H,16,20)
InChIKeyLJZXYTLYVSKROU-UHFFFAOYSA-N
MW312.41 g/mol
LogP-0.48
Rot. Bonds7

About N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 134031706) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID134031706
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC NameN,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCCC1C(=O)N(C)C
InChIInChI=1S/C15H28N4O3/c1-5-8-16-13(20)10-18(4)14(21)11-19-9-6-7-12(19)15(22)17(2)3/h12H,5-11H2,1-4H3,(H,16,20)
InChIKeyLJZXYTLYVSKROU-UHFFFAOYSA-N
XLogP-0.48
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910417
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 60690448
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62466919
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119916207
2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62655482
N,N-dimethyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86913220
2-(3-aminoazetidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 65245071
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-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 115969289
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031662
1-[2-oxo-2-(propylamino)ethyl]azepane-2-carboxylic acid
CID 64564538

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 134031706) is N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide is CCCNC(=O)CN(C)C(=O)CN1CCCC1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is LJZXYTLYVSKROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-5-8-16-13(20)10-18(4)14(21)11-19-9-6-7-12(19)15(22)17(2)3/h12H,5-11H2,1-4H3,(H,16,20).
What are the key properties of N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of -0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134031706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).