N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C14H18N2O — CID 113225655

IUPACN-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NC1CC1)N1CCCCc2ccccc21
InChIInChI=1S/C14H18N2O/c17-14(15-12-8-9-12)16-10-4-3-6-11-5-1-2-7-13(11)16/h1-2,5,7,12H,3-4,6,8-10H2,(H,15,17)
InChIKeyKJFNNBWUQJKOKV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.70
Rot. Bonds1

About N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 113225655) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID113225655
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NC1CC1)N1CCCCc2ccccc21
InChIInChI=1S/C14H18N2O/c17-14(15-12-8-9-12)16-10-4-3-6-11-5-1-2-7-13(11)16/h1-2,5,7,12H,3-4,6,8-10H2,(H,15,17)
InChIKeyKJFNNBWUQJKOKV-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-(1-phenylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 59710019
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736613
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69369112
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide
CID 14809231
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 22390802
N-[(E)-2-cyclopentylethenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108911667
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110866329

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 113225655) is N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(NC1CC1)N1CCCCc2ccccc21.
What is the InChIKey of N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is KJFNNBWUQJKOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(15-12-8-9-12)16-10-4-3-6-11-5-1-2-7-13(11)16/h1-2,5,7,12H,3-4,6,8-10H2,(H,15,17).
What are the key properties of N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 113225655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).