benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate

C21H19N3O2 — CID 22611312

IUPACbenzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate
SMILESNc1cccc2c3c([nH]c12)C=C(NC(=O)OCc1ccccc1)C=CC3
InChIInChI=1S/C21H19N3O2/c22-18-11-5-10-17-16-9-4-8-15(12-19(16)24-20(17)18)23-21(25)26-13-14-6-2-1-3-7-14/h1-8,10-12,24H,9,13,22H2,(H,23,25)
InChIKeyOAHVGTOKNZQCKD-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.13
Rot. Bonds3

About benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate

benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate (PubChem CID 22611312) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate
PubChem CID22611312
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Namebenzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate
SMILESNc1cccc2c3c([nH]c12)C=C(NC(=O)OCc1ccccc1)C=CC3
InChIInChI=1S/C21H19N3O2/c22-18-11-5-10-17-16-9-4-8-15(12-19(16)24-20(17)18)23-21(25)26-13-14-6-2-1-3-7-14/h1-8,10-12,24H,9,13,22H2,(H,23,25)
InChIKeyOAHVGTOKNZQCKD-UHFFFAOYSA-N
XLogP4.13
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine
CID 22611381
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
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CID 19066311
benzyl N-(4H-pyran-3-yl)carbamate
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benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate
CID 68788391
benzyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate
CID 170494790
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
benzyl N-(7-cyclopropyl-2-methylindazol-3-yl)carbamate
CID 175556452
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate?
The IUPAC name of benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate (CID 22611312) is benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate.
What is the SMILES notation for benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate?
The canonical SMILES for benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate is Nc1cccc2c3c([nH]c12)C=C(NC(=O)OCc1ccccc1)C=CC3.
What is the InChIKey of benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate?
The InChIKey is OAHVGTOKNZQCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c22-18-11-5-10-17-16-9-4-8-15(12-19(16)24-20(17)18)23-21(25)26-13-14-6-2-1-3-7-14/h1-8,10-12,24H,9,13,22H2,(H,23,25).
What are the key properties of benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate?
benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate has a molecular weight of 345.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate is sourced from PubChem (CID 22611312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).