N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide

C15H28N4O3 — CID 58969865

IUPACN-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide
SMILESC[13C](=O)CC[13C](=O)N(C)CCNC(=O)[13CH2][15N]1CC[15N]([13CH3])[13CH2][13CH2]1
InChIInChI=1S/C15H28N4O3/c1-13(20)4-5-15(22)18(3)7-6-16-14(21)12-19-10-8-17(2)9-11-19/h4-12H2,1-3H3,(H,16,21)/i2+1,8+1,10+1,12+1,13+1,15+1,17+1,19+1
InChIKeyAOOSJVGXAIMVDT-LJLXMKCMSA-N
MW320.35 g/mol
LogP-0.82
Rot. Bonds8

About N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide

N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide (PubChem CID 58969865) has the molecular formula C15H28N4O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide
PubChem CID58969865
Molecular FormulaC15H28N4O3
Molecular Weight320.35 g/mol
Exact Mass320.23
IUPAC NameN-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide
SMILESC[13C](=O)CC[13C](=O)N(C)CCNC(=O)[13CH2][15N]1CC[15N]([13CH3])[13CH2][13CH2]1
InChIInChI=1S/C15H28N4O3/c1-13(20)4-5-15(22)18(3)7-6-16-14(21)12-19-10-8-17(2)9-11-19/h4-12H2,1-3H3,(H,16,21)/i2+1,8+1,10+1,12+1,13+1,15+1,17+1,19+1
InChIKeyAOOSJVGXAIMVDT-LJLXMKCMSA-N
XLogP-0.82
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide with MolForge

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Related Compounds

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bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
CID 157343011
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
2-[4,7-bis(carboxymethyl)-10-[2-[[3-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 177295601
N-[2-(2-aminoethoxy)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175195064
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
2-[4-(carboxymethyl)-7-[2-[2-[methyl-[2-(4-methylpentanoylamino)ethyl]amino]ethylamino]-2-oxoethyl]-10-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171804018
2-[4,7-bis(carboxymethyl)-10-[2-[[3-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-(pentylamino)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 171639688
2-(4-aminopiperidin-1-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 79328337
N-(2-tert-butylsulfanylethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 50956247
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CID 109011333
methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide?
The IUPAC name of N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide (CID 58969865) is N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide.
What is the SMILES notation for N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide?
The canonical SMILES for N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide is C[13C](=O)CC[13C](=O)N(C)CCNC(=O)[13CH2][15N]1CC[15N]([13CH3])[13CH2][13CH2]1.
What is the InChIKey of N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide?
The InChIKey is AOOSJVGXAIMVDT-LJLXMKCMSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-13(20)4-5-15(22)18(3)7-6-16-14(21)12-19-10-8-17(2)9-11-19/h4-12H2,1-3H3,(H,16,21)/i2+1,8+1,10+1,12+1,13+1,15+1,17+1,19+1.
What are the key properties of N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide?
N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide has a molecular weight of 320.35 g/mol, XLogP of -0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide is sourced from PubChem (CID 58969865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).