2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one

C11H17N3O2 — CID 20711607

IUPAC2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one
SMILESCCNC1N=C(C)C=CN(CC(C)=O)C1=O
InChIInChI=1S/C11H17N3O2/c1-4-12-10-11(16)14(7-9(3)15)6-5-8(2)13-10/h5-6,10,12H,4,7H2,1-3H3
InChIKeyIPGBFONEPCFNKL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.33
Rot. Bonds4

About 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one

2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one (PubChem CID 20711607) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one.

Molecular Properties

Compound Name2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one
PubChem CID20711607
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one
SMILESCCNC1N=C(C)C=CN(CC(C)=O)C1=O
InChIInChI=1S/C11H17N3O2/c1-4-12-10-11(16)14(7-9(3)15)6-5-8(2)13-10/h5-6,10,12H,4,7H2,1-3H3
InChIKeyIPGBFONEPCFNKL-UHFFFAOYSA-N
XLogP0.33
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
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-[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
N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 167286972
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
2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide
CID 20711612
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
4-Methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 114217405

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one?
The IUPAC name of 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one (CID 20711607) is 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one.
What is the SMILES notation for 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one?
The canonical SMILES for 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one is CCNC1N=C(C)C=CN(CC(C)=O)C1=O.
What is the InChIKey of 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one?
The InChIKey is IPGBFONEPCFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-12-10-11(16)14(7-9(3)15)6-5-8(2)13-10/h5-6,10,12H,4,7H2,1-3H3.
What are the key properties of 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one?
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one is sourced from PubChem (CID 20711607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).