N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide

C19H28N2O — CID 67547921

IUPACN-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C19H28N2O/c1-2-3-11-20-19(22)17-8-7-15-9-12-21(18-5-4-6-18)13-10-16(15)14-17/h7-8,14,18H,2-6,9-13H2,1H3,(H,20,22)
InChIKeyNEDSBRYFTBZFGD-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.17
Rot. Bonds5

About N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide

N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide (PubChem CID 67547921) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
PubChem CID67547921
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C19H28N2O/c1-2-3-11-20-19(22)17-8-7-15-9-12-21(18-5-4-6-18)13-10-16(15)14-17/h7-8,14,18H,2-6,9-13H2,1H3,(H,20,22)
InChIKeyNEDSBRYFTBZFGD-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161575
3-cyclobutyl-N-[(1-methylimidazol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 58277851
3-cyclobutyl-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 44529549
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
3-cyclobutyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161977
3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 58277911
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
N-butyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383960
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
CID 58940727
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 58277842
7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide
CID 88582541

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide?
The IUPAC name of N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide (CID 67547921) is N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide.
What is the SMILES notation for N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide?
The canonical SMILES for N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide is CCCCNC(=O)c1ccc2c(c1)CCN(C1CCC1)CC2.
What is the InChIKey of N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide?
The InChIKey is NEDSBRYFTBZFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-3-11-20-19(22)17-8-7-15-9-12-21(18-5-4-6-18)13-10-16(15)14-17/h7-8,14,18H,2-6,9-13H2,1H3,(H,20,22).
What are the key properties of N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide?
N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide is sourced from PubChem (CID 67547921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).