2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide

C10H16N4O2 — CID 20711612

IUPAC2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide
SMILESCCNC1N=C(C)C=CN(CC(N)=O)C1=O
InChIInChI=1S/C10H16N4O2/c1-3-12-9-10(16)14(6-8(11)15)5-4-7(2)13-9/h4-5,9,12H,3,6H2,1-2H3,(H2,11,15)
InChIKeyRQGCDHXJRHBCCK-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.78
Rot. Bonds4

About 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide

2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide (PubChem CID 20711612) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide
PubChem CID20711612
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide
SMILESCCNC1N=C(C)C=CN(CC(N)=O)C1=O
InChIInChI=1S/C10H16N4O2/c1-3-12-9-10(16)14(6-8(11)15)5-4-7(2)13-9/h4-5,9,12H,3,6H2,1-2H3,(H2,11,15)
InChIKeyRQGCDHXJRHBCCK-UHFFFAOYSA-N
XLogP-0.78
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl(4-butylimino-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetamide
CID 129791878
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one
CID 20711607
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium
CID 59976274
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one;methane
CID 158490253
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;methane;yttrium
CID 158959432
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;methane;molecular iodine;yttrium
CID 161004226
2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 171463241
2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide
CID 178172509
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)
CID 20711611
N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 39946215
N-cyclopentyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
CID 113230936
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
CID 113230939

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide?
The IUPAC name of 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide (CID 20711612) is 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide.
What is the SMILES notation for 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide?
The canonical SMILES for 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide is CCNC1N=C(C)C=CN(CC(N)=O)C1=O.
What is the InChIKey of 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide?
The InChIKey is RQGCDHXJRHBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-12-9-10(16)14(6-8(11)15)5-4-7(2)13-9/h4-5,9,12H,3,6H2,1-2H3,(H2,11,15).
What are the key properties of 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide?
2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide is sourced from PubChem (CID 20711612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).