N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide

C14H30N6O2 — CID 10615193

IUPACN-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
SMILESCNC(=O)CN1CCNCCN(CC(=O)NC)CCNCC1
InChIInChI=1S/C14H30N6O2/c1-15-13(21)11-19-7-3-17-5-9-20(12-14(22)16-2)10-6-18-4-8-19/h17-18H,3-12H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyVTYAKBHFMZPBLU-UHFFFAOYSA-N
MW314.43 g/mol
LogP-2.72
Rot. Bonds4

About N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide

N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide (PubChem CID 10615193) has the molecular formula C14H30N6O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
PubChem CID10615193
Molecular FormulaC14H30N6O2
Molecular Weight314.43 g/mol
Exact Mass314.24
IUPAC NameN-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
SMILESCNC(=O)CN1CCNCCN(CC(=O)NC)CCNCC1
InChIInChI=1S/C14H30N6O2/c1-15-13(21)11-19-7-3-17-5-9-20(12-14(22)16-2)10-6-18-4-8-19/h17-18H,3-12H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyVTYAKBHFMZPBLU-UHFFFAOYSA-N
XLogP-2.72
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-2.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide with MolForge

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Related Compounds

N-methyl-2-[(2-piperazin-1-ylacetyl)amino]propanamide
CID 61467729
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
N-acetyl-2-piperazin-1-ylacetamide
CID 67050352
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
methyl N-(2-piperazin-1-ylacetyl)carbamate
CID 43162377
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
ethane;2-piperazin-1-ylacetic acid
CID 143723779
2-[4-(4-ethylpiperidine-4-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 63128392
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
The IUPAC name of N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide (CID 10615193) is N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide is CNC(=O)CN1CCNCCN(CC(=O)NC)CCNCC1.
What is the InChIKey of N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
The InChIKey is VTYAKBHFMZPBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N6O2/c1-15-13(21)11-19-7-3-17-5-9-20(12-14(22)16-2)10-6-18-4-8-19/h17-18H,3-12H2,1-2H3,(H,15,21)(H,16,22).
What are the key properties of N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide has a molecular weight of 314.43 g/mol, XLogP of -2.72, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide is sourced from PubChem (CID 10615193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).