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

C16H18N2O3 — CID 2692498

IUPACtert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-17-10-13-12-7-5-4-6-11(12)8-9-14(13)19/h4-10,19H,1-3H3,(H,18,20)
InChIKeyHAJWIJQUFVLQEQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.40
Rot. Bonds2

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

tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate (PubChem CID 2692498) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
PubChem CID2692498
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nametert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-17-10-13-12-7-5-4-6-11(12)8-9-14(13)19/h4-10,19H,1-3H3,(H,18,20)
InChIKeyHAJWIJQUFVLQEQ-UHFFFAOYSA-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

methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate
CID 136898949
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
(E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide
CID 135726416

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate (CID 2692498) is tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate is CC(C)(C)OC(=O)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate?
The InChIKey is HAJWIJQUFVLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-17-10-13-12-7-5-4-6-11(12)8-9-14(13)19/h4-10,19H,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate?
tert-butyl N-[(2-hydroxynaphthalen-1-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-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate is sourced from PubChem (CID 2692498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).