N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide

C14H30N6O2 — CID 69170462

IUPACN,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
SMILESCNC(=O)CN1CCNCCN(C(=O)NC)CCNCC1C
InChIInChI=1S/C14H30N6O2/c1-12-10-18-6-8-19(14(22)16-3)7-4-17-5-9-20(12)11-13(21)15-2/h12,17-18H,4-11H2,1-3H3,(H,15,21)(H,16,22)
InChIKeyPNBOGRLEMJJZRW-UHFFFAOYSA-N
MW314.43 g/mol
LogP-1.74
Rot. Bonds2

About N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide

N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide (PubChem CID 69170462) has the molecular formula C14H30N6O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
PubChem CID69170462
Molecular FormulaC14H30N6O2
Molecular Weight314.43 g/mol
Exact Mass314.24
IUPAC NameN,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
SMILESCNC(=O)CN1CCNCCN(C(=O)NC)CCNCC1C
InChIInChI=1S/C14H30N6O2/c1-12-10-18-6-8-19(14(22)16-3)7-4-17-5-9-20(12)11-13(21)15-2/h12,17-18H,4-11H2,1-3H3,(H,15,21)(H,16,22)
InChIKeyPNBOGRLEMJJZRW-UHFFFAOYSA-N
XLogP-1.74
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide with MolForge

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Related Compounds

N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
N-(methylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673678
2-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713214
N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916512
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673671
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704869
ethyl 2-(2-methylpiperazin-1-yl)acetate
CID 62672980

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide?
The IUPAC name of N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide (CID 69170462) is N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide.
What is the SMILES notation for N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide?
The canonical SMILES for N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide is CNC(=O)CN1CCNCCN(C(=O)NC)CCNCC1C.
What is the InChIKey of N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide?
The InChIKey is PNBOGRLEMJJZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N6O2/c1-12-10-18-6-8-19(14(22)16-3)7-4-17-5-9-20(12)11-13(21)15-2/h12,17-18H,4-11H2,1-3H3,(H,15,21)(H,16,22).
What are the key properties of N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide?
N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of -1.74, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide is sourced from PubChem (CID 69170462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).