tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate

C17H22N2O3 — CID 175556090

IUPACtert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate
SMILESCOc1ccc2ccccc2c1NN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H22N2O3/c1-17(2,3)22-16(20)19(4)18-15-13-9-7-6-8-12(13)10-11-14(15)21-5/h6-11,18H,1-5H3
InChIKeyBWZSNHGPHHDIEZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.04
Rot. Bonds3

About tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate

tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate (PubChem CID 175556090) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate
PubChem CID175556090
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nametert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate
SMILESCOc1ccc2ccccc2c1NN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H22N2O3/c1-17(2,3)22-16(20)19(4)18-15-13-9-7-6-8-12(13)10-11-14(15)21-5/h6-11,18H,1-5H3
InChIKeyBWZSNHGPHHDIEZ-UHFFFAOYSA-N
XLogP4.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxynaphthalen-1-yl)amino]acetic acid
CID 66808022
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
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CID 90054827
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
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CID 14907783
methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-naphthalen-2-ylbutanoate
CID 54267401
[3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 170314031
N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide
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tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
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tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
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tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate
CID 178112451

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate (CID 175556090) is tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate is COc1ccc2ccccc2c1NN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate?
The InChIKey is BWZSNHGPHHDIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2,3)22-16(20)19(4)18-15-13-9-7-6-8-12(13)10-11-14(15)21-5/h6-11,18H,1-5H3.
What are the key properties of tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate?
tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate has a molecular weight of 302.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate is sourced from PubChem (CID 175556090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).