N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide

C11H25N5O — CID 101060490

IUPACN-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide
SMILESCC(=O)NCC1CNCCNCCNCCN1
InChIInChI=1S/C11H25N5O/c1-10(17)16-9-11-8-14-5-4-12-2-3-13-6-7-15-11/h11-15H,2-9H2,1H3,(H,16,17)
InChIKeyVOCXVUHBOLXTMY-UHFFFAOYSA-N
MW243.35 g/mol
LogP-2.14
Rot. Bonds2

About N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide

N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide (PubChem CID 101060490) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide
PubChem CID101060490
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC NameN-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide
SMILESCC(=O)NCC1CNCCNCCNCCN1
InChIInChI=1S/C11H25N5O/c1-10(17)16-9-11-8-14-5-4-12-2-3-13-6-7-15-11/h11-15H,2-9H2,1H3,(H,16,17)
InChIKeyVOCXVUHBOLXTMY-UHFFFAOYSA-N
XLogP-2.14
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide
CID 14839584
1,4,7,10,13,16-hexazacyclooctadec-2-ylmethyl acetate
CID 101060497
2-phenyl-N-(piperazin-2-ylmethyl)acetamide
CID 151558064
2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine
CID 53424715
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide
CID 22238530
3-[(2S)-piperazin-2-yl]propanoic acid
CID 86334249
[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine
CID 129386497
2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide
CID 22876500
piperazin-2-ylmethyl N-butylcarbamate
CID 11173728
ethyl 4-[[(2R)-piperazin-2-yl]methylamino]benzoate
CID 125468774

Frequently Asked Questions

What is the IUPAC name of N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide?
The IUPAC name of N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide (CID 101060490) is N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide?
The canonical SMILES for N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide is CC(=O)NCC1CNCCNCCNCCN1.
What is the InChIKey of N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide?
The InChIKey is VOCXVUHBOLXTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O/c1-10(17)16-9-11-8-14-5-4-12-2-3-13-6-7-15-11/h11-15H,2-9H2,1H3,(H,16,17).
What are the key properties of N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide?
N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of -2.14, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide is sourced from PubChem (CID 101060490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).