3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide

C27H30N2O — CID 155295177

IUPAC3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide
SMILESO=C(CC(Cc1ccccc1)Cc1ccccc1)NN1CCCCc2ccccc21
InChIInChI=1S/C27H30N2O/c30-27(28-29-18-10-9-16-25-15-7-8-17-26(25)29)21-24(19-22-11-3-1-4-12-22)20-23-13-5-2-6-14-23/h1-8,11-15,17,24H,9-10,16,18-21H2,(H,28,30)
InChIKeyOVLKABVOJVOWRD-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.35
Rot. Bonds7

About 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide

3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide (PubChem CID 155295177) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide.

Molecular Properties

Compound Name3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide
PubChem CID155295177
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide
SMILESO=C(CC(Cc1ccccc1)Cc1ccccc1)NN1CCCCc2ccccc21
InChIInChI=1S/C27H30N2O/c30-27(28-29-18-10-9-16-25-15-7-8-17-26(25)29)21-24(19-22-11-3-1-4-12-22)20-23-13-5-2-6-14-23/h1-8,11-15,17,24H,9-10,16,18-21H2,(H,28,30)
InChIKeyOVLKABVOJVOWRD-UHFFFAOYSA-N
XLogP5.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-ylcarbamic acid
CID 67189387
3,4-dihydro-2H-quinolin-1-ylurea
CID 19747645
N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
CID 5028392
2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 24710591
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
2,3-dihydroindol-1-ylurea
CID 22353227
N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide
CID 3694017
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide?
The IUPAC name of 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide (CID 155295177) is 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide.
What is the SMILES notation for 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide?
The canonical SMILES for 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide is O=C(CC(Cc1ccccc1)Cc1ccccc1)NN1CCCCc2ccccc21.
What is the InChIKey of 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide?
The InChIKey is OVLKABVOJVOWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c30-27(28-29-18-10-9-16-25-15-7-8-17-26(25)29)21-24(19-22-11-3-1-4-12-22)20-23-13-5-2-6-14-23/h1-8,11-15,17,24H,9-10,16,18-21H2,(H,28,30).
What are the key properties of 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide?
3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide has a molecular weight of 398.55 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide is sourced from PubChem (CID 155295177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).