2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide

C16H30N4O3 — CID 89369313

IUPAC2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide
SMILESC=C(NCC(=O)NCC(N)=O)C(N)CCC(=O)CCC(C)(C)C
InChIInChI=1S/C16H30N4O3/c1-11(19-10-15(23)20-9-14(18)22)13(17)6-5-12(21)7-8-16(2,3)4/h13,19H,1,5-10,17H2,2-4H3,(H2,18,22)(H,20,23)
InChIKeyFNMGOUZRZCKVDJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.19
Rot. Bonds11

About 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide

2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide (PubChem CID 89369313) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide
PubChem CID89369313
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide
SMILESC=C(NCC(=O)NCC(N)=O)C(N)CCC(=O)CCC(C)(C)C
InChIInChI=1S/C16H30N4O3/c1-11(19-10-15(23)20-9-14(18)22)13(17)6-5-12(21)7-8-16(2,3)4/h13,19H,1,5-10,17H2,2-4H3,(H2,18,22)(H,20,23)
InChIKeyFNMGOUZRZCKVDJ-UHFFFAOYSA-N
XLogP0.19
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide (CID 89369313) is 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide is C=C(NCC(=O)NCC(N)=O)C(N)CCC(=O)CCC(C)(C)C.
What is the InChIKey of 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide?
The InChIKey is FNMGOUZRZCKVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-11(19-10-15(23)20-9-14(18)22)13(17)6-5-12(21)7-8-16(2,3)4/h13,19H,1,5-10,17H2,2-4H3,(H2,18,22)(H,20,23).
What are the key properties of 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide?
2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide has a molecular weight of 326.44 g/mol, XLogP of 0.19, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 89369313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).