N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide

C12H20N6O4 — CID 146018502

IUPACN-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)NC2C1NC(=O)N2CCNC(C)=O
InChIInChI=1S/C12H20N6O4/c1-7(19)13-3-5-17-9-10(16-11(17)21)18(12(22)15-9)6-4-14-8(2)20/h9-10H,3-6H2,1-2H3,(H,13,19)(H,14,20)(H,15,22)(H,16,21)
InChIKeyQAYOOERXTDWHDQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP-2.04
Rot. Bonds6

About N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide

N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide (PubChem CID 146018502) has the molecular formula C12H20N6O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide
PubChem CID146018502
Molecular FormulaC12H20N6O4
Molecular Weight312.33 g/mol
Exact Mass312.15
IUPAC NameN-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)NC2C1NC(=O)N2CCNC(C)=O
InChIInChI=1S/C12H20N6O4/c1-7(19)13-3-5-17-9-10(16-11(17)21)18(12(22)15-9)6-4-14-8(2)20/h9-10H,3-6H2,1-2H3,(H,13,19)(H,14,20)(H,15,22)(H,16,21)
InChIKeyQAYOOERXTDWHDQ-UHFFFAOYSA-N
XLogP-2.04
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4,6-tetraacetyltetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
CID 82717
1,3-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CID 535784
1-butyl-3-methyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CID 2930719
1-Butyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione
CID 3146919
1,3,4-Trimethyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione
CID 653320
3,4,6-Triacetyl-1-ethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 3146920
N-sec-Butyl-2-(2,5-dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-acetamide
CID 3155751
4-Butan-2-yl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 2932814
3,4-Di(propan-2-yl)-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 340408
1,6-Diacetyl-3,4-dimethyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione
CID 645931
1,3-diacetyl-4,6-diethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CID 644680
N-Butyl-2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-D]imidazol-1-YL}acetamide
CID 11957271

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide (CID 146018502) is N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide is CC(=O)NCCN1C(=O)NC2C1NC(=O)N2CCNC(C)=O.
What is the InChIKey of N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide?
The InChIKey is QAYOOERXTDWHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O4/c1-7(19)13-3-5-17-9-10(16-11(17)21)18(12(22)15-9)6-4-14-8(2)20/h9-10H,3-6H2,1-2H3,(H,13,19)(H,14,20)(H,15,22)(H,16,21).
What are the key properties of N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide?
N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide has a molecular weight of 312.33 g/mol, XLogP of -2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2-acetamidoethyl)-2,5-dioxo-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 146018502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).