N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide

C15H22N2O3 — CID 9074141

IUPACN-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(C)=O)ccc1OCCC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)7-8-20-14-6-5-13(9-15(14)19-4)10-16-17-12(3)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)/b16-10-
InChIKeyUSMFJWUHMDXFAI-YBEGLDIGSA-N
MW278.35 g/mol
LogP2.59
Rot. Bonds7

About N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide

N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide (PubChem CID 9074141) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
PubChem CID9074141
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(C)=O)ccc1OCCC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)7-8-20-14-6-5-13(9-15(14)19-4)10-16-17-12(3)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)/b16-10-
InChIKeyUSMFJWUHMDXFAI-YBEGLDIGSA-N
XLogP2.59
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.59
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

[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719
3,4,5-triethoxy-N-[(E)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 16556056
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 8981647
N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883525
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
[[3-methyl-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 168531957
N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
CID 25237262
methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
2-hydroxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 3247960
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-[(E)-[4-[4-[4-[(E)-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoylhydrazinylidene]methyl]-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methylideneamino]urea
CID 177462924
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide (CID 9074141) is N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide is COc1cc(/C=N\NC(C)=O)ccc1OCCC(C)C.
What is the InChIKey of N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide?
The InChIKey is USMFJWUHMDXFAI-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)7-8-20-14-6-5-13(9-15(14)19-4)10-16-17-12(3)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide?
N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide has a molecular weight of 278.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 9074141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).