N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C22H22N2O — CID 69223792

IUPACN-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1CCCCc2ccccc21
InChIInChI=1S/C22H22N2O/c25-22(24-15-6-5-10-18-9-2-4-14-21(18)24)23-16-19-12-7-11-17-8-1-3-13-20(17)19/h1-4,7-9,11-14H,5-6,10,15-16H2,(H,23,25)
InChIKeyPVFAKXYANQSYGV-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.89
Rot. Bonds2

About N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69223792) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69223792
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1CCCCc2ccccc21
InChIInChI=1S/C22H22N2O/c25-22(24-15-6-5-10-18-9-2-4-14-21(18)24)23-16-19-12-7-11-17-8-1-3-13-20(17)19/h1-4,7-9,11-14H,5-6,10,15-16H2,(H,23,25)
InChIKeyPVFAKXYANQSYGV-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943959
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide
CID 112816205
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47125506
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108893210
N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943948
(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid
CID 107840294
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69223792) is N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(NCc1cccc2ccccc12)N1CCCCc2ccccc21.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is PVFAKXYANQSYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22(24-15-6-5-10-18-9-2-4-14-21(18)24)23-16-19-12-7-11-17-8-1-3-13-20(17)19/h1-4,7-9,11-14H,5-6,10,15-16H2,(H,23,25).
What are the key properties of N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69223792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).