N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C21H21N3O3 — CID 4661365

IUPACN-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1cccc(C=NNC(=O)CNc2cccc3ccccc23)c1OC
InChIInChI=1S/C21H21N3O3/c1-26-19-12-6-9-16(21(19)27-2)13-23-24-20(25)14-22-18-11-5-8-15-7-3-4-10-17(15)18/h3-13,22H,14H2,1-2H3,(H,24,25)
InChIKeyNSQSPKRVFLFMFO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.42
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 4661365) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID4661365
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1cccc(C=NNC(=O)CNc2cccc3ccccc23)c1OC
InChIInChI=1S/C21H21N3O3/c1-26-19-12-6-9-16(21(19)27-2)13-23-24-20(25)14-22-18-11-5-8-15-7-3-4-10-17(15)18/h3-13,22H,14H2,1-2H3,(H,24,25)
InChIKeyNSQSPKRVFLFMFO-UHFFFAOYSA-N
XLogP3.42
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
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

2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 44725851
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1246283
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135541691
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3874837
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6897427
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 7256123

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 4661365) is N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is COc1cccc(C=NNC(=O)CNc2cccc3ccccc23)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is NSQSPKRVFLFMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-19-12-6-9-16(21(19)27-2)13-23-24-20(25)14-22-18-11-5-8-15-7-3-4-10-17(15)18/h3-13,22H,14H2,1-2H3,(H,24,25).
What are the key properties of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 4661365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).