tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate

C16H18N2O3 — CID 136898949

IUPACtert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C\c1ccc2ccccc2c1O
InChIInChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-17-10-12-9-8-11-6-4-5-7-13(11)14(12)19/h4-10,19H,1-3H3,(H,18,20)/b17-10-
InChIKeyPBLUUPBKLDCSJP-YVLHZVERSA-N
MW286.33 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate

tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate (PubChem CID 136898949) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate
PubChem CID136898949
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nametert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C\c1ccc2ccccc2c1O
InChIInChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-17-10-12-9-8-11-6-4-5-7-13(11)14(12)19/h4-10,19H,1-3H3,(H,18,20)/b17-10-
InChIKeyPBLUUPBKLDCSJP-YVLHZVERSA-N
XLogP3.40
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 2692498
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 135752096
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 5177464
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 4670148
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
CID 135605985

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate (CID 136898949) is tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate is CC(C)(C)OC(=O)N/N=C\c1ccc2ccccc2c1O.
What is the InChIKey of tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate?
The InChIKey is PBLUUPBKLDCSJP-YVLHZVERSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-17-10-12-9-8-11-6-4-5-7-13(11)14(12)19/h4-10,19H,1-3H3,(H,18,20)/b17-10-.
What are the key properties of tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate?
tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate has a molecular weight of 286.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate is sourced from PubChem (CID 136898949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).