N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide

C16H27N5O2 — CID 118744938

IUPACN-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN(C)C(C)C)C1
InChIInChI=1S/C16H27N5O2/c1-12(2)19(4)8-14-9-20-6-5-17-15(20)11-21(10-14)16(23)7-18-13(3)22/h5-6,12,14H,7-11H2,1-4H3,(H,18,22)
InChIKeyOTIILFBCXGZWIA-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.32
Rot. Bonds5

About N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide

N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide (PubChem CID 118744938) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
PubChem CID118744938
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN(C)C(C)C)C1
InChIInChI=1S/C16H27N5O2/c1-12(2)19(4)8-14-9-20-6-5-17-15(20)11-21(10-14)16(23)7-18-13(3)22/h5-6,12,14H,7-11H2,1-4H3,(H,18,22)
InChIKeyOTIILFBCXGZWIA-UHFFFAOYSA-N
XLogP0.32
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide (CID 118744938) is N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1Cc2nccn2CC(CN(C)C(C)C)C1.
What is the InChIKey of N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The InChIKey is OTIILFBCXGZWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12(2)19(4)8-14-9-20-6-5-17-15(20)11-21(10-14)16(23)7-18-13(3)22/h5-6,12,14H,7-11H2,1-4H3,(H,18,22).
What are the key properties of N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 118744938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).