λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide

C16H34N8O4Pb — CID 163474801

IUPACλ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
SMILESNC(=O)CN1CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC1.[212PbH2]
InChIInChI=1S/C16H32N8O4.Pb.2H/c17-13(25)9-21-1-2-22(10-14(18)26)5-6-24(12-16(20)28)8-7-23(4-3-21)11-15(19)27;;;/h1-12H2,(H2,17,25)(H2,18,26)(H2,19,27)(H2,20,28);;;/i;1+5;;
InChIKeyBZOHQIXPSYVDDP-KBKCWVBXSA-N
MW614.49 g/mol
LogP-5.77
Rot. Bonds8

About λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide

λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide (PubChem CID 163474801) has the molecular formula C16H34N8O4Pb and a molecular weight of 614.49 g/mol. Its IUPAC name is λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide.

Molecular Properties

Compound Nameλ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
PubChem CID163474801
Molecular FormulaC16H34N8O4Pb
Molecular Weight614.49 g/mol
Exact Mass614.26
IUPAC Nameλ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
SMILESNC(=O)CN1CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC1.[212PbH2]
InChIInChI=1S/C16H32N8O4.Pb.2H/c17-13(25)9-21-1-2-22(10-14(18)26)5-6-24(12-16(20)28)8-7-23(4-3-21)11-15(19)27;;;/h1-12H2,(H2,17,25)(H2,18,26)(H2,19,27)(H2,20,28);;;/i;1+5;;
InChIKeyBZOHQIXPSYVDDP-KBKCWVBXSA-N
XLogP-5.77
TPSA185.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.49
LogP ≤ 5-5.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azetidin-1-yl)acetamide
CID 18923030
2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101001022
2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetamide
CID 164740078
2-[4-(2-amino-2-oxoethyl)-7-(carboxymethyl)-10-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170568686
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63309616
2-[7-(2-amino-2-oxoethyl)-4-(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 71260856
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide
CID 43252657
2-(4-oxopiperidin-1-yl)acetamide
CID 24696767
2-(4-hydroxypiperidin-1-yl)acetamide
CID 14799132
2-[7-(2-amino-2-oxoethyl)-4-(carboxymethyl)-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170255326
2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide
CID 63342621
2-(3-methylimidazolidin-1-yl)acetamide
CID 11299041

Frequently Asked Questions

What is the IUPAC name of λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
The IUPAC name of λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide (CID 163474801) is λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide.
What is the SMILES notation for λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
The canonical SMILES for λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide is NC(=O)CN1CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC1.[212PbH2].
What is the InChIKey of λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
The InChIKey is BZOHQIXPSYVDDP-KBKCWVBXSA-N. The full InChI is InChI=1S/C16H32N8O4.Pb.2H/c17-13(25)9-21-1-2-22(10-14(18)26)5-6-24(12-16(20)28)8-7-23(4-3-21)11-15(19)27;;;/h1-12H2,(H2,17,25)(H2,18,26)(H2,19,27)(H2,20,28);;;/i;1+5;;.
What are the key properties of λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide?
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide has a molecular weight of 614.49 g/mol, XLogP of -5.77, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide is sourced from PubChem (CID 163474801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).