(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide

C17H19N3O4 — CID 136851890

IUPAC(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C17H19N3O4/c1-11(19-14-5-3-4-6-16(14)24-2)17(23)20-18-10-12-7-8-13(21)9-15(12)22/h3-11,19,21-22H,1-2H3,(H,20,23)/b18-10-/t11-/m0/s1
InChIKeyRJYKVVUNANDQQH-TZQXVGBESA-N
MW329.36 g/mol
LogP2.06
Rot. Bonds6

About (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide

(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide (PubChem CID 136851890) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide
PubChem CID136851890
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C17H19N3O4/c1-11(19-14-5-3-4-6-16(14)24-2)17(23)20-18-10-12-7-8-13(21)9-15(12)22/h3-11,19,21-22H,1-2H3,(H,20,23)/b18-10-/t11-/m0/s1
InChIKeyRJYKVVUNANDQQH-TZQXVGBESA-N
XLogP2.06
TPSA103.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
CID 5212708
2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 71960236
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 135683629
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136790489
2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide
CID 5003080
(2R)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 124834516
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 12005344
(2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide
CID 40507856
(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 165344462
2,4-dihydroxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 6287752
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135782070
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 71947279

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide?
The IUPAC name of (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide (CID 136851890) is (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide?
The canonical SMILES for (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide is COc1ccccc1N[C@@H](C)C(=O)N/N=C\c1ccc(O)cc1O.
What is the InChIKey of (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide?
The InChIKey is RJYKVVUNANDQQH-TZQXVGBESA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(19-14-5-3-4-6-16(14)24-2)17(23)20-18-10-12-7-8-13(21)9-15(12)22/h3-11,19,21-22H,1-2H3,(H,20,23)/b18-10-/t11-/m0/s1.
What are the key properties of (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide?
(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide has a molecular weight of 329.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide is sourced from PubChem (CID 136851890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).