N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide

C22H20N2O2 — CID 5091527

IUPACN-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide
SMILESCOc1ccc2c(c1)CCC2=NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H20N2O2/c1-26-18-10-11-20-17(13-18)9-12-21(20)23-24-22(25)14-16-7-4-6-15-5-2-3-8-19(15)16/h2-8,10-11,13H,9,12,14H2,1H3,(H,24,25)
InChIKeyFPWSJWHMHURXJH-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.86
Rot. Bonds4

About N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide

N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide (PubChem CID 5091527) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide
PubChem CID5091527
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide
SMILESCOc1ccc2c(c1)CCC2=NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H20N2O2/c1-26-18-10-11-20-17(13-18)9-12-21(20)23-24-22(25)14-16-7-4-6-15-5-2-3-8-19(15)16/h2-8,10-11,13H,9,12,14H2,1H3,(H,24,25)
InChIKeyFPWSJWHMHURXJH-UHFFFAOYSA-N
XLogP3.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883708
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662511
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-(cyclopentylideneamino)-2-naphthalen-1-ylacetamide
CID 905432
N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide
CID 97000869
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide
CID 43879777
(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 134848209
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
CID 4694796

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide (CID 5091527) is N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide is COc1ccc2c(c1)CCC2=NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide?
The InChIKey is FPWSJWHMHURXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-18-10-11-20-17(13-18)9-12-21(20)23-24-22(25)14-16-7-4-6-15-5-2-3-8-19(15)16/h2-8,10-11,13H,9,12,14H2,1H3,(H,24,25).
What are the key properties of N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide?
N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide has a molecular weight of 344.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 5091527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).