2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide

C18H21N3O4 — CID 164718436

IUPAC2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCOc1cc(/C=N/NC(=O)C(N)Cc2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H21N3O4/c1-24-15-9-13(10-16(25-2)17(15)22)11-20-21-18(23)14(19)8-12-6-4-3-5-7-12/h3-7,9-11,14,22H,8,19H2,1-2H3,(H,21,23)/b20-11+
InChIKeyNFQRZBWHBWOTDT-RGVLZGJSSA-N
MW343.38 g/mol
LogP1.43
Rot. Bonds7

About 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide

2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 164718436) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID164718436
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCOc1cc(/C=N/NC(=O)C(N)Cc2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H21N3O4/c1-24-15-9-13(10-16(25-2)17(15)22)11-20-21-18(23)14(19)8-12-6-4-3-5-7-12/h3-7,9-11,14,22H,8,19H2,1-2H3,(H,21,23)/b20-11+
InChIKeyNFQRZBWHBWOTDT-RGVLZGJSSA-N
XLogP1.43
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-amino-3-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide
CID 166986771
benzyl N-[(E)-(3,4-dihydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 136986984
2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 177413584
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 135738473
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
2-(1-phenylpropan-2-ylamino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 134110411
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135533720
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135782039
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156
2-benzylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3110453
4-(aminomethyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 135691055
(2S)-N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135958667

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide (CID 164718436) is 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide is COc1cc(/C=N/NC(=O)C(N)Cc2ccccc2)cc(OC)c1O.
What is the InChIKey of 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is NFQRZBWHBWOTDT-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-15-9-13(10-16(25-2)17(15)22)11-20-21-18(23)14(19)8-12-6-4-3-5-7-12/h3-7,9-11,14,22H,8,19H2,1-2H3,(H,21,23)/b20-11+.
What are the key properties of 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide?
2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 343.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 164718436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).