butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate

C19H22N2O2 — CID 130317864

IUPACbutyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
SMILESCCCCOC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C19H22N2O2/c1-2-3-12-23-19(22)20-16-11-10-15-9-8-14-6-4-5-7-17(14)21-18(15)13-16/h4-7,10-11,13,21H,2-3,8-9,12H2,1H3,(H,20,22)
InChIKeyOBIHPZZBRAKSLF-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.88
Rot. Bonds4

About butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate

butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate (PubChem CID 130317864) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
PubChem CID130317864
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namebutyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
SMILESCCCCOC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C19H22N2O2/c1-2-3-12-23-19(22)20-16-11-10-15-9-8-14-6-4-5-7-17(14)21-18(15)13-16/h4-7,10-11,13,21H,2-3,8-9,12H2,1H3,(H,20,22)
InChIKeyOBIHPZZBRAKSLF-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 781231
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide
CID 2839733
1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one
CID 154158729
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide
CID 1377912
ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate
CID 773651
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate
CID 175814710
butyl N-(3-amino-4-fluorophenyl)carbamate
CID 150760184
3-(butoxycarbonylamino)benzoic acid
CID 70253445
dodecyl N-phenylcarbamate
CID 521818
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911

Frequently Asked Questions

What is the IUPAC name of butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate?
The IUPAC name of butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate (CID 130317864) is butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate.
What is the SMILES notation for butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate?
The canonical SMILES for butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate is CCCCOC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2.
What is the InChIKey of butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate?
The InChIKey is OBIHPZZBRAKSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-3-12-23-19(22)20-16-11-10-15-9-8-14-6-4-5-7-17(14)21-18(15)13-16/h4-7,10-11,13,21H,2-3,8-9,12H2,1H3,(H,20,22).
What are the key properties of butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate?
butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate has a molecular weight of 310.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate is sourced from PubChem (CID 130317864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).