N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide

C25H25N3O6 — CID 3263380

IUPACN-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide
SMILESCOc1cc(C=NNC(=O)C(C)Oc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C25H25N3O6/c1-17-9-7-8-12-22(17)34-18(2)25(29)27-26-15-20-13-23(32-3)24(14-21(20)28(30)31)33-16-19-10-5-4-6-11-19/h4-15,18H,16H2,1-3H3,(H,27,29)
InChIKeyKYUDMNGWDHEDIB-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.41
Rot. Bonds10

About N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide

N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide (PubChem CID 3263380) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide
PubChem CID3263380
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC NameN-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide
SMILESCOc1cc(C=NNC(=O)C(C)Oc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C25H25N3O6/c1-17-9-7-8-12-22(17)34-18(2)25(29)27-26-15-20-13-23(32-3)24(14-21(20)28(30)31)33-16-19-10-5-4-6-11-19/h4-15,18H,16H2,1-3H3,(H,27,29)
InChIKeyKYUDMNGWDHEDIB-UHFFFAOYSA-N
XLogP4.41
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 25301252
(2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-4-methylpentanamide
CID 126026562
3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6039924
N-(3-chloro-4-methylphenyl)-N'-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3933311
N-[2-[2-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3836904
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 4595185
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 5370784
N-(3-chlorophenyl)-N'-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 5213889
2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine
CID 168591750
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 5339776
(2S)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 5434404
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-nitrophenyl)methylideneamino]propanamide
CID 5123615

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide?
The IUPAC name of N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide (CID 3263380) is N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide is COc1cc(C=NNC(=O)C(C)Oc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1.
What is the InChIKey of N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide?
The InChIKey is KYUDMNGWDHEDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-17-9-7-8-12-22(17)34-18(2)25(29)27-26-15-20-13-23(32-3)24(14-21(20)28(30)31)33-16-19-10-5-4-6-11-19/h4-15,18H,16H2,1-3H3,(H,27,29).
What are the key properties of N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide?
N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide has a molecular weight of 463.49 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 3263380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).