2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide

C24H48N6O3 — CID 14434735

IUPAC2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(CC(=O)N(CC)CC)CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C24H48N6O3/c1-7-28(8-2)22(31)19-25-13-15-26(20-23(32)29(9-3)10-4)17-18-27(16-14-25)21-24(33)30(11-5)12-6/h7-21H2,1-6H3
InChIKeyPGVRNNVZYPOMQP-UHFFFAOYSA-N
MW468.69 g/mol
LogP0.51
Rot. Bonds12

About 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide

2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide (PubChem CID 14434735) has the molecular formula C24H48N6O3 and a molecular weight of 468.69 g/mol. Its IUPAC name is 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
PubChem CID14434735
Molecular FormulaC24H48N6O3
Molecular Weight468.69 g/mol
Exact Mass468.38
IUPAC Name2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(CC(=O)N(CC)CC)CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C24H48N6O3/c1-7-28(8-2)22(31)19-25-13-15-26(20-23(32)29(9-3)10-4)17-18-27(16-14-25)21-24(33)30(11-5)12-6/h7-21H2,1-6H3
InChIKeyPGVRNNVZYPOMQP-UHFFFAOYSA-N
XLogP0.51
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.69
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide with MolForge

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Related Compounds

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43397033
1-[2-(diethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125037
1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176812
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 43253014
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249005
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487
N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide
CID 119837474
2-[ethyl-[2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid
CID 134552153
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
CID 651792

Frequently Asked Questions

What is the IUPAC name of 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide (CID 14434735) is 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(CC(=O)N(CC)CC)CCN(CC(=O)N(CC)CC)CC1.
What is the InChIKey of 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide?
The InChIKey is PGVRNNVZYPOMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N6O3/c1-7-28(8-2)22(31)19-25-13-15-26(20-23(32)29(9-3)10-4)17-18-27(16-14-25)21-24(33)30(11-5)12-6/h7-21H2,1-6H3.
What are the key properties of 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide?
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide has a molecular weight of 468.69 g/mol, XLogP of 0.51, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 14434735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).