tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate

C16H17NO2 — CID 11858848

IUPACtert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate
SMILESCC(C)(C)OC(=O)/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO2/c1-16(2,3)19-15(18)17-11-12-8-9-13-6-4-5-7-14(13)10-12/h4-11H,1-3H3/b17-11+
InChIKeySMHJWPAFCZOKEV-GZTJUZNOSA-N
MW255.32 g/mol
LogP4.19
Rot. Bonds1

About tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate

tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate (PubChem CID 11858848) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate.

Molecular Properties

Compound Nametert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate
PubChem CID11858848
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nametert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate
SMILESCC(C)(C)OC(=O)/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO2/c1-16(2,3)19-15(18)17-11-12-8-9-13-6-4-5-7-14(13)10-12/h4-11H,1-3H3/b17-11+
InChIKeySMHJWPAFCZOKEV-GZTJUZNOSA-N
XLogP4.19
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (NE)-N-[(3-fluorophenyl)methylidene]carbamate
CID 135083551
tert-butyl N-[[3-(trifluoromethoxy)phenyl]methylidene]carbamate
CID 123544531
N-(naphthalen-2-ylmethylidene)benzamide
CID 101463832
tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate
CID 11481157
tert-butyl (NE)-N-[(2-bromophenyl)methylidene]carbamate
CID 11666353
2-hydroxy-2-methyl-N-[(E)-naphthalen-2-ylmethylideneamino]propanamide
CID 25237720
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
tert-butyl (NE)-N-[(E)-3-phenylprop-2-enylidene]carbamate
CID 11195611
tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
CID 45091867
tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate
CID 101456831
4-(naphthalen-2-ylmethylideneamino)benzoic acid
CID 71359398
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate?
The IUPAC name of tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate (CID 11858848) is tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate.
What is the SMILES notation for tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate?
The canonical SMILES for tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate is CC(C)(C)OC(=O)/N=C/c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate?
The InChIKey is SMHJWPAFCZOKEV-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(2,3)19-15(18)17-11-12-8-9-13-6-4-5-7-14(13)10-12/h4-11H,1-3H3/b17-11+.
What are the key properties of tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate?
tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate has a molecular weight of 255.32 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate is sourced from PubChem (CID 11858848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).