N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

C24H25N3O4 — CID 3467471

IUPACN-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)NC(C)C(=O)NN=Cc2c(OC)ccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O4/c1-16(26-23(28)14-17-8-11-19(30-2)12-9-17)24(29)27-25-15-21-20-7-5-4-6-18(20)10-13-22(21)31-3/h4-13,15-16H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOBERKYWDQISAFU-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.05
Rot. Bonds8

About N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (PubChem CID 3467471) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
PubChem CID3467471
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)NC(C)C(=O)NN=Cc2c(OC)ccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O4/c1-16(26-23(28)14-17-8-11-19(30-2)12-9-17)24(29)27-25-15-21-20-7-5-4-6-18(20)10-13-22(21)31-3/h4-13,15-16H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOBERKYWDQISAFU-UHFFFAOYSA-N
XLogP3.05
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.05
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-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4034842
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 4569895
N-[(2-ethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 5213834
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(3-methoxy-2-propoxyphenyl)methylideneamino]propanamide
CID 3459146
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4575722
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 136720648
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901324
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 3953884
N-[(5-bromo-2-butoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3902744

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (CID 3467471) is N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is COc1ccc(CC(=O)NC(C)C(=O)NN=Cc2c(OC)ccc3ccccc23)cc1.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The InChIKey is OBERKYWDQISAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16(26-23(28)14-17-8-11-19(30-2)12-9-17)24(29)27-25-15-21-20-7-5-4-6-18(20)10-13-22(21)31-3/h4-13,15-16H,14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide has a molecular weight of 419.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 3467471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).