2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide

C15H25N3O — CID 134915400

IUPAC2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide
SMILESCCN(CC)C(=O)C1=CC=CN=C(N(CC)CC)C1
InChIInChI=1S/C15H25N3O/c1-5-17(6-2)14-12-13(10-9-11-16-14)15(19)18(7-3)8-4/h9-11H,5-8,12H2,1-4H3
InChIKeyYYDLDUGZWSDZJV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.44
Rot. Bonds5

About 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide

2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide (PubChem CID 134915400) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide
PubChem CID134915400
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide
SMILESCCN(CC)C(=O)C1=CC=CN=C(N(CC)CC)C1
InChIInChI=1S/C15H25N3O/c1-5-17(6-2)14-12-13(10-9-11-16-14)15(19)18(7-3)8-4/h9-11H,5-8,12H2,1-4H3
InChIKeyYYDLDUGZWSDZJV-UHFFFAOYSA-N
XLogP2.44
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N,N-dimethyl-3H-azepine-5-carboxamide
CID 86151925
1-[2-(diethylamino)-3H-azepin-4-yl]ethanone
CID 134915401
2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide
CID 134989648
(3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one
CID 89015773
1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one
CID 142236903
5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one
CID 142236952
Ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 143696548
3,8-Diethylpyrido[1,2-a]pyrimidin-4-one
CID 166703497
2-amino-6,7-dimethylidene-N,N-dipropyl-3H-azepine-4-carboxamide
CID 172272868
3-methyl-1-(5-methyl-4H-pyridin-4-id-2-yl)pyridin-2-one;yttrium
CID 172337035
(E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium
CID 177235079
8,9-Dihydropyrido[1,2-b][2,4]benzodiazepine-6,11-dione
CID 49794297

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide (CID 134915400) is 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide is CCN(CC)C(=O)C1=CC=CN=C(N(CC)CC)C1.
What is the InChIKey of 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide?
The InChIKey is YYDLDUGZWSDZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-17(6-2)14-12-13(10-9-11-16-14)15(19)18(7-3)8-4/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide?
2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide is sourced from PubChem (CID 134915400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).