2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide

C16H34N6O4 — CID 101001022

IUPAC2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
SMILESNC(=O)CN1CCN(CCO)CCN(CC(N)=O)CCN(CCO)CC1
InChIInChI=1S/C16H34N6O4/c17-15(25)13-21-5-1-19(9-11-23)2-6-22(14-16(18)26)8-4-20(3-7-21)10-12-24/h23-24H,1-14H2,(H2,17,25)(H2,18,26)
InChIKeyDLUVEMMLYKJFNV-UHFFFAOYSA-N
MW374.49 g/mol
LogP-3.84
Rot. Bonds8

About 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide

2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide (PubChem CID 101001022) has the molecular formula C16H34N6O4 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide.

Molecular Properties

Compound Name2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
PubChem CID101001022
Molecular FormulaC16H34N6O4
Molecular Weight374.49 g/mol
Exact Mass374.26
IUPAC Name2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
SMILESNC(=O)CN1CCN(CCO)CCN(CC(N)=O)CCN(CCO)CC1
InChIInChI=1S/C16H34N6O4/c17-15(25)13-21-5-1-19(9-11-23)2-6-22(14-16(18)26)8-4-20(3-7-21)10-12-24/h23-24H,1-14H2,(H2,17,25)(H2,18,26)
InChIKeyDLUVEMMLYKJFNV-UHFFFAOYSA-N
XLogP-3.84
TPSA139.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 5-3.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63309616
2-[7-(2-amino-2-oxoethyl)-4-(carboxymethyl)-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170255326
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide
CID 43252657
2-(azetidin-1-yl)acetamide
CID 18923030
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
2-[4,7-bis(2-nitrosoethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 177035942
2-(3-methylimidazolidin-1-yl)acetamide
CID 11299041
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190
2-(4-methanidylpiperazin-1-yl)ethanol
CID 20723281
2-[4-[2-[formyl(methyl)amino]ethyl]piperazin-1-yl]acetamide
CID 160796876

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
The IUPAC name of 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide (CID 101001022) is 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide.
What is the SMILES notation for 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
The canonical SMILES for 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide is NC(=O)CN1CCN(CCO)CCN(CC(N)=O)CCN(CCO)CC1.
What is the InChIKey of 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
The InChIKey is DLUVEMMLYKJFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N6O4/c17-15(25)13-21-5-1-19(9-11-23)2-6-22(14-16(18)26)8-4-20(3-7-21)10-12-24/h23-24H,1-14H2,(H2,17,25)(H2,18,26).
What are the key properties of 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of -3.84, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide is sourced from PubChem (CID 101001022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).