N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

C19H21N3O4 — CID 3693405

IUPACN-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)NC(C)C(=O)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H21N3O4/c1-13(19(25)22-20-12-15-3-7-16(23)8-4-15)21-18(24)11-14-5-9-17(26-2)10-6-14/h3-10,12-13,23H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRVLYBSDSPKBLNR-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.60
Rot. Bonds7

About N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (PubChem CID 3693405) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
PubChem CID3693405
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)NC(C)C(=O)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H21N3O4/c1-13(19(25)22-20-12-15-3-7-16(23)8-4-15)21-18(24)11-14-5-9-17(26-2)10-6-14/h3-10,12-13,23H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRVLYBSDSPKBLNR-UHFFFAOYSA-N
XLogP1.60
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 3953884
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-prop-2-ynoxyphenyl)methylideneamino]propanamide
CID 5014955
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 5233220
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4575722
N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3636874
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4555556
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4034842
N-[(2-ethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 5213834
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3467471

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (CID 3693405) is N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is COc1ccc(CC(=O)NC(C)C(=O)NN=Cc2ccc(O)cc2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The InChIKey is RVLYBSDSPKBLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(19(25)22-20-12-15-3-7-16(23)8-4-15)21-18(24)11-14-5-9-17(26-2)10-6-14/h3-10,12-13,23H,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide has a molecular weight of 355.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 3693405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).