N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C17H25N3O — CID 114335871

IUPACN-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCCNC1CCCN(C(=O)NC2CCC2)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-18-15-10-6-12-20(16-11-4-3-9-14(15)16)17(21)19-13-7-5-8-13/h3-4,9,11,13,15,18H,2,5-8,10,12H2,1H3,(H,19,21)
InChIKeyGPVYQIHYPCHFPM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.20
Rot. Bonds3

About N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 114335871) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID114335871
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCCNC1CCCN(C(=O)NC2CCC2)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-18-15-10-6-12-20(16-11-4-3-9-14(15)16)17(21)19-13-7-5-8-13/h3-4,9,11,13,15,18H,2,5-8,10,12H2,1H3,(H,19,21)
InChIKeyGPVYQIHYPCHFPM-UHFFFAOYSA-N
XLogP3.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2,2-dimethylbutan-1-one
CID 114335814
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-methylpentan-1-one
CID 114873303
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
N-cyclohexyl-4-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110746959
4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol
CID 114336423
1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336346
1-(cyclopropylmethylsulfonyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335958
[4-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81316493
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 116658696
N-ethyl-1-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336343

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 114335871) is N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is CCNC1CCCN(C(=O)NC2CCC2)c2ccccc21.
What is the InChIKey of N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is GPVYQIHYPCHFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-18-15-10-6-12-20(16-11-4-3-9-14(15)16)17(21)19-13-7-5-8-13/h3-4,9,11,13,15,18H,2,5-8,10,12H2,1H3,(H,19,21).
What are the key properties of N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 114335871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).