propan-2-yl N-(10-methylacridin-9-ylidene)carbamate

C18H18N2O2 — CID 101099962

IUPACpropan-2-yl N-(10-methylacridin-9-ylidene)carbamate
SMILESCC(C)OC(=O)N=c1c2ccccc2n(C)c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-12(2)22-18(21)19-17-13-8-4-6-10-15(13)20(3)16-11-7-5-9-14(16)17/h4-12H,1-3H3
InChIKeyXGSAHOGHEOHFPF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.78
Rot. Bonds1

About propan-2-yl N-(10-methylacridin-9-ylidene)carbamate

propan-2-yl N-(10-methylacridin-9-ylidene)carbamate (PubChem CID 101099962) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is propan-2-yl N-(10-methylacridin-9-ylidene)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(10-methylacridin-9-ylidene)carbamate
PubChem CID101099962
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Namepropan-2-yl N-(10-methylacridin-9-ylidene)carbamate
SMILESCC(C)OC(=O)N=c1c2ccccc2n(C)c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-12(2)22-18(21)19-17-13-8-4-6-10-15(13)20(3)16-11-7-5-9-14(16)17/h4-12H,1-3H3
InChIKeyXGSAHOGHEOHFPF-UHFFFAOYSA-N
XLogP3.78
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(10-methylacridin-9-ylidene)carbamate?
The IUPAC name of propan-2-yl N-(10-methylacridin-9-ylidene)carbamate (CID 101099962) is propan-2-yl N-(10-methylacridin-9-ylidene)carbamate.
What is the SMILES notation for propan-2-yl N-(10-methylacridin-9-ylidene)carbamate?
The canonical SMILES for propan-2-yl N-(10-methylacridin-9-ylidene)carbamate is CC(C)OC(=O)N=c1c2ccccc2n(C)c2ccccc12.
What is the InChIKey of propan-2-yl N-(10-methylacridin-9-ylidene)carbamate?
The InChIKey is XGSAHOGHEOHFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(2)22-18(21)19-17-13-8-4-6-10-15(13)20(3)16-11-7-5-9-14(16)17/h4-12H,1-3H3.
What are the key properties of propan-2-yl N-(10-methylacridin-9-ylidene)carbamate?
propan-2-yl N-(10-methylacridin-9-ylidene)carbamate has a molecular weight of 294.35 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(10-methylacridin-9-ylidene)carbamate is sourced from PubChem (CID 101099962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).