N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide

C22H22N2O3 — CID 9215628

IUPACN-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H22N2O3/c1-15(2)27-18-11-8-17(9-12-18)22(25)24-23-14-20-19-7-5-4-6-16(19)10-13-21(20)26-3/h4-15H,1-3H3,(H,24,25)/b23-14-
InChIKeyFMBLCUYBBAVGOR-UCQKPKSFSA-N
MW362.43 g/mol
LogP4.40
Rot. Bonds6

About N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215628) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215628
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H22N2O3/c1-15(2)27-18-11-8-17(9-12-18)22(25)24-23-14-20-19-7-5-4-6-16(19)10-13-21(20)26-3/h4-15H,1-3H3,(H,24,25)/b23-14-
InChIKeyFMBLCUYBBAVGOR-UCQKPKSFSA-N
XLogP4.40
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
CID 126012683
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
[1-[[(4-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3871773
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522852
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3467471
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901324

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide (CID 9215628) is N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide is COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is FMBLCUYBBAVGOR-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15(2)27-18-11-8-17(9-12-18)22(25)24-23-14-20-19-7-5-4-6-16(19)10-13-21(20)26-3/h4-15H,1-3H3,(H,24,25)/b23-14-.
What are the key properties of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).