1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide

C16H30N4O3 — CID 129148319

IUPAC1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide
SMILESC[13C](=O)CCNC(=O)CCN[13C](=O)[13CH]1[13CH2][13CH2][13CH2][15N]1C[13CH2][15N](C)C
InChIInChI=1S/C16H30N4O3/c1-13(21)6-8-17-15(22)7-9-18-16(23)14-5-4-10-20(14)12-11-19(2)3/h14H,4-12H2,1-3H3,(H,17,22)(H,18,23)/i4+1,5+1,10+1,11+1,13+1,14+1,16+1,19+1,20+1
InChIKeyJXHPWYSKDXJBLO-QFXWKRILSA-N
MW335.37 g/mol
LogP-0.39
Rot. Bonds10

About 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide

1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide (PubChem CID 129148319) has the molecular formula C16H30N4O3 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide
PubChem CID129148319
Molecular FormulaC16H30N4O3
Molecular Weight335.37 g/mol
Exact Mass335.25
IUPAC Name1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide
SMILESC[13C](=O)CCNC(=O)CCN[13C](=O)[13CH]1[13CH2][13CH2][13CH2][15N]1C[13CH2][15N](C)C
InChIInChI=1S/C16H30N4O3/c1-13(21)6-8-17-15(22)7-9-18-16(23)14-5-4-10-20(14)12-11-19(2)3/h14H,4-12H2,1-3H3,(H,17,22)(H,18,23)/i4+1,5+1,10+1,11+1,13+1,14+1,16+1,19+1,20+1
InChIKeyJXHPWYSKDXJBLO-QFXWKRILSA-N
XLogP-0.39
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

butane;1-[2-(dimethylamino)(1,2-13C2)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-[di((113C)methyl)(15N)amino]ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butylamino)(2,3-13C2)propyl](115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(2,3-13C2)propyl](213C,115N)azolidine-2-carboxamide;1-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(3-oxo(313C)butyl(15N)amino)(313C)propyl](2,3,4,5-13C4)azolidine-2-carboxamide;1-[2-[di((113C)methyl)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(2,3-13C2)butyl(15N)amino)(2,3-13C2)propyl]pyrrolidine-2-(15N)carboxamide;1-[2-[di((113C)methyl)(15N)amino](213C)ethyl]-N-[3-oxo-3-(3-oxo(1,2,3-13C3)butyl(15N)amino)(313C)propyl]pyrrolidine-2-carboxamide
CID 161041623
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
CID 143685494
2-[2-[3-(dimethylamino)propylcarbamoyl]piperidin-1-yl]ethyl octadecanoate
CID 70104121
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
3-[3-[[2-[2-(dimethylamino(113C)methyl)(2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino]propanoylamino](113C)propanoic acid
CID 129148345
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate
CID 129148317
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-[2,2-di((113C)methyl)(1,2,3-13C3)propyl](115N)azolidine-2-carbonyl]amino](113C)propanoyl(15N)amino](113C)propanoate
CID 129148300
N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109016229
N-[3-(dimethylamino)propyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687240
(2S)-1-(cyclopentanecarbonyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 95280772
1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide (CID 129148319) is 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide is C[13C](=O)CCNC(=O)CCN[13C](=O)[13CH]1[13CH2][13CH2][13CH2][15N]1C[13CH2][15N](C)C.
What is the InChIKey of 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide?
The InChIKey is JXHPWYSKDXJBLO-QFXWKRILSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-13(21)6-8-17-15(22)7-9-18-16(23)14-5-4-10-20(14)12-11-19(2)3/h14H,4-12H2,1-3H3,(H,17,22)(H,18,23)/i4+1,5+1,10+1,11+1,13+1,14+1,16+1,19+1,20+1.
What are the key properties of 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide?
1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of -0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide is sourced from PubChem (CID 129148319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).