[(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate

C27H19NO4 — CID 70517323

IUPAC[(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate
SMILESC[C@@H](OC(=O)Nc1ccccc1)c1ccc2cc3c(cc2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C27H19NO4/c1-16(32-27(31)28-20-7-3-2-4-8-20)17-11-12-18-14-23-24(15-19(18)13-17)26(30)22-10-6-5-9-21(22)25(23)29/h2-16H,1H3,(H,28,31)/t16-/m1/s1
InChIKeyWZKYYZHHTWVSMI-MRXNPFEDSA-N
MW421.45 g/mol
LogP5.92
Rot. Bonds3

About [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate

[(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate (PubChem CID 70517323) has the molecular formula C27H19NO4 and a molecular weight of 421.45 g/mol. Its IUPAC name is [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate
PubChem CID70517323
Molecular FormulaC27H19NO4
Molecular Weight421.45 g/mol
Exact Mass421.13
IUPAC Name[(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate
SMILESC[C@@H](OC(=O)Nc1ccccc1)c1ccc2cc3c(cc2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C27H19NO4/c1-16(32-27(31)28-20-7-3-2-4-8-20)17-11-12-18-14-23-24(15-19(18)13-17)26(30)22-10-6-5-9-21(22)25(23)29/h2-16H,1H3,(H,28,31)/t16-/m1/s1
InChIKeyWZKYYZHHTWVSMI-MRXNPFEDSA-N
XLogP5.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
[(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate
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(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
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[(1S)-1-naphthalen-2-ylethyl] benzoate
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1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
CID 2485585
(1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate
CID 152653401
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide
CID 111755518

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate?
The IUPAC name of [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate (CID 70517323) is [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate.
What is the SMILES notation for [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate?
The canonical SMILES for [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate is C[C@@H](OC(=O)Nc1ccccc1)c1ccc2cc3c(cc2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate?
The InChIKey is WZKYYZHHTWVSMI-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H19NO4/c1-16(32-27(31)28-20-7-3-2-4-8-20)17-11-12-18-14-23-24(15-19(18)13-17)26(30)22-10-6-5-9-21(22)25(23)29/h2-16H,1H3,(H,28,31)/t16-/m1/s1.
What are the key properties of [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate?
[(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate has a molecular weight of 421.45 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate is sourced from PubChem (CID 70517323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).