(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C23H28N2O4 — CID 15906537

IUPAC(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCO/N=C(\C(=O)NCCc1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O4/c1-27-20-11-8-16(14-21(20)28-2)12-13-24-23(26)22(25-29-3)19-10-9-17-6-4-5-7-18(17)15-19/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,26)/b25-22-
InChIKeyARLSIVYGMXINCU-LVWGJNHUSA-N
MW396.49 g/mol
LogP3.29
Rot. Bonds8

About (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 15906537) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID15906537
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCO/N=C(\C(=O)NCCc1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O4/c1-27-20-11-8-16(14-21(20)28-2)12-13-24-23(26)22(25-29-3)19-10-9-17-6-4-5-7-18(17)15-19/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,26)/b25-22-
InChIKeyARLSIVYGMXINCU-LVWGJNHUSA-N
XLogP3.29
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 72605566
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxobutanamide
CID 32735771
2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650250
2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide
CID 73193276
2-methoxyimino-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650224
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane
CID 90757175
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 154039597
(2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 134292015
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxyiminopropanamide
CID 71964880
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)phenyl]-2-methylsulfanyliminoacetamide
CID 18405788

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 15906537) is (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is CO/N=C(\C(=O)NCCc1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is ARLSIVYGMXINCU-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-27-20-11-8-16(14-21(20)28-2)12-13-24-23(26)22(25-29-3)19-10-9-17-6-4-5-7-18(17)15-19/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,26)/b25-22-.
What are the key properties of (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 15906537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).