(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide

C19H23N3O3 — CID 770506

IUPAC(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide
SMILESCC[C@@H](Nc1ccccc1)C(=O)NN=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23N3O3/c1-4-16(21-15-8-6-5-7-9-15)19(23)22-20-13-14-10-11-17(24-2)18(12-14)25-3/h5-13,16,21H,4H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyDISRLMCMQNBOBY-MRXNPFEDSA-N
MW341.41 g/mol
LogP3.04
Rot. Bonds8

About (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide

(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide (PubChem CID 770506) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide
PubChem CID770506
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide
SMILESCC[C@@H](Nc1ccccc1)C(=O)NN=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23N3O3/c1-4-16(21-15-8-6-5-7-9-15)19(23)22-20-13-14-10-11-17(24-2)18(12-14)25-3/h5-13,16,21H,4H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyDISRLMCMQNBOBY-MRXNPFEDSA-N
XLogP3.04
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
CID 3535801
2-(4-bromoanilino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135716436
(2R)-2-(4-bromoanilino)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 136757858
2-(3-chloroanilino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 5103703
2-anilino-N-[(3-bromophenyl)methylideneamino]butanamide
CID 5206245
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605
(2R)-2-(4-chloroanilino)-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]butanamide
CID 136670444
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 86771790
2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide
CID 19579432
(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135764360
(2S)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 98531368
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide?
The IUPAC name of (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide (CID 770506) is (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide is CC[C@@H](Nc1ccccc1)C(=O)NN=Cc1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide?
The InChIKey is DISRLMCMQNBOBY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-16(21-15-8-6-5-7-9-15)19(23)22-20-13-14-10-11-17(24-2)18(12-14)25-3/h5-13,16,21H,4H2,1-3H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide?
(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide has a molecular weight of 341.41 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 770506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).