N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide

C27H31N3O3 — CID 5192074

IUPACN-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide
SMILESCOc1cc(C(C)=NNC(=O)CCCNc2ccc(C)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C27H31N3O3/c1-20-11-14-24(15-12-20)28-17-7-10-27(31)30-29-21(2)23-13-16-25(26(18-23)32-3)33-19-22-8-5-4-6-9-22/h4-6,8-9,11-16,18,28H,7,10,17,19H2,1-3H3,(H,30,31)
InChIKeyOJOXXTIOWPXORG-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.32
Rot. Bonds11

About N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide

N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide (PubChem CID 5192074) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide
PubChem CID5192074
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide
SMILESCOc1cc(C(C)=NNC(=O)CCCNc2ccc(C)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C27H31N3O3/c1-20-11-14-24(15-12-20)28-17-7-10-27(31)30-29-21(2)23-13-16-25(26(18-23)32-3)33-19-22-8-5-4-6-9-22/h4-6,8-9,11-16,18,28H,7,10,17,19H2,1-3H3,(H,30,31)
InChIKeyOJOXXTIOWPXORG-UHFFFAOYSA-N
XLogP5.32
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
CID 6380566
N,N'-bis[1-(3,4-dimethoxyphenyl)ethylideneamino]octanediamide
CID 5058567
N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 4576577
2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 5179011
N-[(E)-1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 19660633
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6876830
2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19169677
4-(4-chloro-2-methylphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]butanamide
CID 4176982

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide?
The IUPAC name of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide (CID 5192074) is N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide.
What is the SMILES notation for N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide?
The canonical SMILES for N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide is COc1cc(C(C)=NNC(=O)CCCNc2ccc(C)cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide?
The InChIKey is OJOXXTIOWPXORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-20-11-14-24(15-12-20)28-17-7-10-27(31)30-29-21(2)23-13-16-25(26(18-23)32-3)33-19-22-8-5-4-6-9-22/h4-6,8-9,11-16,18,28H,7,10,17,19H2,1-3H3,(H,30,31).
What are the key properties of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide?
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide has a molecular weight of 445.56 g/mol, XLogP of 5.32, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide is sourced from PubChem (CID 5192074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).