(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide

C18H21N3O2 — CID 5403118

IUPAC(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide
SMILESCOc1ccc(N[C@H](C)C(=O)N/N=C(\C)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(15-7-5-4-6-8-15)20-21-18(22)14(2)19-16-9-11-17(23-3)12-10-16/h4-12,14,19H,1-3H3,(H,21,22)/b20-13+/t14-/m1/s1
InChIKeyHEAZJCMOIWSLNC-GNUZOCDUSA-N
MW311.39 g/mol
LogP3.04
Rot. Bonds6

About (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide

(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide (PubChem CID 5403118) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide
PubChem CID5403118
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide
SMILESCOc1ccc(N[C@H](C)C(=O)N/N=C(\C)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(15-7-5-4-6-8-15)20-21-18(22)14(2)19-16-9-11-17(23-3)12-10-16/h4-12,14,19H,1-3H3,(H,21,22)/b20-13+/t14-/m1/s1
InChIKeyHEAZJCMOIWSLNC-GNUZOCDUSA-N
XLogP3.04
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960241
2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide
CID 71960114
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
CID 6858361
(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
CID 51414732
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-methylpropanamide
CID 27877650
2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960214
(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135782070
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5001692
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
CID 6380566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide (CID 5403118) is (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide is COc1ccc(N[C@H](C)C(=O)N/N=C(\C)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide?
The InChIKey is HEAZJCMOIWSLNC-GNUZOCDUSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(15-7-5-4-6-8-15)20-21-18(22)14(2)19-16-9-11-17(23-3)12-10-16/h4-12,14,19H,1-3H3,(H,21,22)/b20-13+/t14-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide?
(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide has a molecular weight of 311.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide is sourced from PubChem (CID 5403118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).