[[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate

C20H23ClN2O2 — CID 2741967

IUPAC[[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)ON=C(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)11-15-7-9-16(10-8-15)14(3)20(24)25-23-19(22)17-5-4-6-18(21)12-17/h4-10,12-14H,11H2,1-3H3,(H2,22,23)
InChIKeyVXTJDYZGLRNXKO-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.51
Rot. Bonds6

About [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate

[[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 2741967) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name[[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID2741967
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name[[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)ON=C(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)11-15-7-9-16(10-8-15)14(3)20(24)25-23-19(22)17-5-4-6-18(21)12-17/h4-10,12-14H,11H2,1-3H3,(H2,22,23)
InChIKeyVXTJDYZGLRNXKO-UHFFFAOYSA-N
XLogP4.51
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-N'-[[4-(2-methylpropyl)phenyl]methoxy]carbamimidoyl]benzoic acid
CID 142953494
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium
CID 6340999
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077
2-sulfanylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 10445655
(3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone
CID 70685998
2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
CID 141298282
N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11839494
2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide
CID 76854416
benzene-1,3-diol;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 70397497
3-hydroxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 129318305
3-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]benzoyl chloride
CID 19024843

Frequently Asked Questions

What is the IUPAC name of [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate (CID 2741967) is [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)ON=C(N)c2cccc(Cl)c2)cc1.
What is the InChIKey of [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is VXTJDYZGLRNXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13(2)11-15-7-9-16(10-8-15)14(3)20(24)25-23-19(22)17-5-4-6-18(21)12-17/h4-10,12-14H,11H2,1-3H3,(H2,22,23).
What are the key properties of [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate?
[[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 358.87 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(3-chlorophenyl)methylidene]amino] 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 2741967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).