(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide

C18H21N3O3 — CID 840626

IUPAC(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(C=NNC(=O)[C@@H](C)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(20-15-6-10-17(24-3)11-7-15)18(22)21-19-12-14-4-8-16(23-2)9-5-14/h4-13,20H,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyMHHLIRLWVLMAQW-CYBMUJFWSA-N
MW327.38 g/mol
LogP2.65
Rot. Bonds7

About (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide

(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide (PubChem CID 840626) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
PubChem CID840626
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(C=NNC(=O)[C@@H](C)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(20-15-6-10-17(24-3)11-7-15)18(22)21-19-12-14-4-8-16(23-2)9-5-14/h4-13,20H,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyMHHLIRLWVLMAQW-CYBMUJFWSA-N
XLogP2.65
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 5063444
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 86771790
(2S)-2-(4-methoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 5431240
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135782070
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135679505
N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5001692
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670442
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 136720648
(2S)-2-(4-ethoxyanilino)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136705964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide (CID 840626) is (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide is COc1ccc(C=NNC(=O)[C@@H](C)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is MHHLIRLWVLMAQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(20-15-6-10-17(24-3)11-7-15)18(22)21-19-12-14-4-8-16(23-2)9-5-14/h4-13,20H,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide?
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 840626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).