5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

C22H26N2O2 — CID 166370695

IUPAC5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESO=C(NCC1CC(c2ccccc2)C1)N1CCc2ccccc2C(O)C1
InChIInChI=1S/C22H26N2O2/c25-21-15-24(11-10-18-8-4-5-9-20(18)21)22(26)23-14-16-12-19(13-16)17-6-2-1-3-7-17/h1-9,16,19,21,25H,10-15H2,(H,23,26)
InChIKeyDRVHWPJNMLZIST-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.48
Rot. Bonds3

About 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (PubChem CID 166370695) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
PubChem CID166370695
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESO=C(NCC1CC(c2ccccc2)C1)N1CCc2ccccc2C(O)C1
InChIInChI=1S/C22H26N2O2/c25-21-15-24(11-10-18-8-4-5-9-20(18)21)22(26)23-14-16-12-19(13-16)17-6-2-1-3-7-17/h1-9,16,19,21,25H,10-15H2,(H,23,26)
InChIKeyDRVHWPJNMLZIST-UHFFFAOYSA-N
XLogP3.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenyl-N-(thietan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 166255511
1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea
CID 124872768
2-bromo-1-[(5R)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
CID 949223
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 11617195
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 122139331
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94021427
8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 166183692
tert-butyl 3-[[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]methyl]azetidine-1-carboxylate
CID 175596649
2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 66166344
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602
1-[(5S)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]prop-2-en-1-one;1-[(5R)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]prop-2-en-1-one
CID 165027492
2-[3-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclobutyl]acetic acid
CID 166299763

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (CID 166370695) is 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is O=C(NCC1CC(c2ccccc2)C1)N1CCc2ccccc2C(O)C1.
What is the InChIKey of 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The InChIKey is DRVHWPJNMLZIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21-15-24(11-10-18-8-4-5-9-20(18)21)22(26)23-14-16-12-19(13-16)17-6-2-1-3-7-17/h1-9,16,19,21,25H,10-15H2,(H,23,26).
What are the key properties of 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is sourced from PubChem (CID 166370695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).