(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate

C21H16N2O3 — CID 748240

IUPAC(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)ON=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H16N2O3/c1-25-15-12-10-14(11-13-15)22-21(24)26-23-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3,(H,22,24)
InChIKeyMCEKMHPPYCOROC-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.68
Rot. Bonds3

About (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate

(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate (PubChem CID 748240) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate
PubChem CID748240
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)ON=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H16N2O3/c1-25-15-12-10-14(11-13-15)22-21(24)26-23-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3,(H,22,24)
InChIKeyMCEKMHPPYCOROC-UHFFFAOYSA-N
XLogP4.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
CID 5340818
N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide
CID 7933106
1,3-bis(4-methoxyphenyl)urea
CID 139045428
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate
CID 75034418
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate
CID 4192304
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate
CID 102129679

Frequently Asked Questions

What is the IUPAC name of (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate?
The IUPAC name of (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate (CID 748240) is (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate?
The canonical SMILES for (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)ON=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate?
The InChIKey is MCEKMHPPYCOROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-25-15-12-10-14(11-13-15)22-21(24)26-23-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3,(H,22,24).
What are the key properties of (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate?
(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate has a molecular weight of 344.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 748240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).