N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide

C19H21ClN2O4 — CID 45146402

IUPACN-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
SMILESCOc1ccccc1OCCCOc1ccc(Cl)cc1/C=N/NC(C)=O
InChIInChI=1S/C19H21ClN2O4/c1-14(23)22-21-13-15-12-16(20)8-9-17(15)25-10-5-11-26-19-7-4-3-6-18(19)24-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,23)/b21-13+
InChIKeyVUGDFQAJSQRPRO-FYJGNVAPSA-N
MW376.84 g/mol
LogP3.67
Rot. Bonds9

About N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide

N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide (PubChem CID 45146402) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
PubChem CID45146402
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
SMILESCOc1ccccc1OCCCOc1ccc(Cl)cc1/C=N/NC(C)=O
InChIInChI=1S/C19H21ClN2O4/c1-14(23)22-21-13-15-12-16(20)8-9-17(15)25-10-5-11-26-19-7-4-3-6-18(19)24-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,23)/b21-13+
InChIKeyVUGDFQAJSQRPRO-FYJGNVAPSA-N
XLogP3.67
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
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-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 25251887
4-chloro-N-[(E)-[5-chloro-2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 124552187
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate
CID 3550779
4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide
CID 3312356
3-[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20985993
4-[[4-chloro-2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126332446
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126317605
ethyl N-[[5-chloro-2-[3-(4-chlorophenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 5142623
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
N-[(E)-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126324453

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide (CID 45146402) is N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide is COc1ccccc1OCCCOc1ccc(Cl)cc1/C=N/NC(C)=O.
What is the InChIKey of N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide?
The InChIKey is VUGDFQAJSQRPRO-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-14(23)22-21-13-15-12-16(20)8-9-17(15)25-10-5-11-26-19-7-4-3-6-18(19)24-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide?
N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide has a molecular weight of 376.84 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 45146402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).