[2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate

C18H21NO3 — CID 20849712

IUPAC[2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate
SMILES[H]/N=C(\COC(=O)C(C)(C)C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H21NO3/c1-18(2,3)17(20)22-11-16(19)14-6-5-13-10-15(21-4)8-7-12(13)9-14/h5-10,19H,11H2,1-4H3/b19-16+
InChIKeyUAKUYHAMJALYMB-KNTRCKAVSA-N
MW299.37 g/mol
LogP3.81
Rot. Bonds4

About [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate

[2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate (PubChem CID 20849712) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate
PubChem CID20849712
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate
SMILES[H]/N=C(\COC(=O)C(C)(C)C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H21NO3/c1-18(2,3)17(20)22-11-16(19)14-6-5-13-10-15(21-4)8-7-12(13)9-14/h5-10,19H,11H2,1-4H3/b19-16+
InChIKeyUAKUYHAMJALYMB-KNTRCKAVSA-N
XLogP3.81
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298740
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
CID 142112568
methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
CID 10904773
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699
(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid
CID 21354869
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987

Frequently Asked Questions

What is the IUPAC name of [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate (CID 20849712) is [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate is [H]/N=C(\COC(=O)C(C)(C)C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate?
The InChIKey is UAKUYHAMJALYMB-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,3)17(20)22-11-16(19)14-6-5-13-10-15(21-4)8-7-12(13)9-14/h5-10,19H,11H2,1-4H3/b19-16+.
What are the key properties of [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate?
[2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate has a molecular weight of 299.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-imino-2-(6-methoxynaphthalen-2-yl)ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 20849712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).