2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide

C12H19N3O2 — CID 22948707

IUPAC2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide
SMILESCCNC1C=C(C)C=CN(CC(=O)NC)C1=O
InChIInChI=1S/C12H19N3O2/c1-4-14-10-7-9(2)5-6-15(12(10)17)8-11(16)13-3/h5-7,10,14H,4,8H2,1-3H3,(H,13,16)
InChIKeySFQNZPUNSIPGNB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.01
Rot. Bonds4

About 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide

2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide (PubChem CID 22948707) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide
PubChem CID22948707
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide
SMILESCCNC1C=C(C)C=CN(CC(=O)NC)C1=O
InChIInChI=1S/C12H19N3O2/c1-4-14-10-7-9(2)5-6-15(12(10)17)8-11(16)13-3/h5-7,10,14H,4,8H2,1-3H3,(H,13,16)
InChIKeySFQNZPUNSIPGNB-UHFFFAOYSA-N
XLogP0.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2H-Azepin-2-one, 1,3-dihydro-1-(2-diethylaminoethyl)-3,5,7-trimethyl-, hydrochloride
CID 15915
N-(2-amino-2-oxoethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 43374294
2-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 72047413
2-[5-(2,2-difluoroethenyl)-2-oxo-3H-azepin-1-yl]butanamide
CID 141264582
2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide
CID 166448603
N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide
CID 166448604
N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide
CID 166448984
(2R)-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylpropanamide
CID 8215900
(2S)-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylpropanamide
CID 8215901
N,N-dimethyl-1,2-dihydropyridine-2-carboxamide
CID 18707208
1,2-Dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone
CID 19041017
N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide
CID 19041085

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide (CID 22948707) is 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide is CCNC1C=C(C)C=CN(CC(=O)NC)C1=O.
What is the InChIKey of 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide?
The InChIKey is SFQNZPUNSIPGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-14-10-7-9(2)5-6-15(12(10)17)8-11(16)13-3/h5-7,10,14H,4,8H2,1-3H3,(H,13,16).
What are the key properties of 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide?
2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide is sourced from PubChem (CID 22948707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).