N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide

C20H23ClN2O3 — CID 126393613

IUPACN-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide
SMILESCC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C20H23ClN2O3/c1-5-13(2)26-20-18(21)10-15(11-19(20)25-4)12-22-16-6-8-17(9-7-16)23-14(3)24/h6-13H,5H2,1-4H3,(H,23,24)/b22-12+/t13-/m1/s1
InChIKeyZBAWKCQRHMZUBG-UMYHVIPVSA-N
MW374.87 g/mol
LogP5.23
Rot. Bonds7

About N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide

N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide (PubChem CID 126393613) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide
PubChem CID126393613
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide
SMILESCC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C20H23ClN2O3/c1-5-13(2)26-20-18(21)10-15(11-19(20)25-4)12-22-16-6-8-17(9-7-16)23-14(3)24/h6-13H,5H2,1-4H3,(H,23,24)/b22-12+/t13-/m1/s1
InChIKeyZBAWKCQRHMZUBG-UMYHVIPVSA-N
XLogP5.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(4-methylphenyl)methanimine
CID 126380326
N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide
CID 833853
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
1-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(3-chlorophenyl)methanimine
CID 126391506
N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-2-chlorobenzamide
CID 126384401
1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine
CID 126386568
N-[(Z)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126196928
1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(4-methyl-3-nitrophenyl)methanimine
CID 126382076
N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 3597843
1-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2,4-dichlorophenyl)methanimine
CID 126389107
N-[(Z)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-ethoxyphenyl]methylideneamino]acetamide
CID 126020491
N-[(E)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-3-hydroxybenzamide
CID 126380002

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide (CID 126393613) is N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide is CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide?
The InChIKey is ZBAWKCQRHMZUBG-UMYHVIPVSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-5-13(2)26-20-18(21)10-15(11-19(20)25-4)12-22-16-6-8-17(9-7-16)23-14(3)24/h6-13H,5H2,1-4H3,(H,23,24)/b22-12+/t13-/m1/s1.
What are the key properties of N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide?
N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide is sourced from PubChem (CID 126393613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).