N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide

C16H21N7O4 — CID 137304084

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide
SMILESCOc1cc(/C=N/NC(=O)C(C)n2nnc(N3CCOCC3)n2)ccc1O
InChIInChI=1S/C16H21N7O4/c1-11(23-20-16(19-21-23)22-5-7-27-8-6-22)15(25)18-17-10-12-3-4-13(24)14(9-12)26-2/h3-4,9-11,24H,5-8H2,1-2H3,(H,18,25)/b17-10+
InChIKeyCZSFNSZLEBQJBO-LICLKQGHSA-N
MW375.39 g/mol
LogP-0.06
Rot. Bonds6

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide (PubChem CID 137304084) has the molecular formula C16H21N7O4 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide
PubChem CID137304084
Molecular FormulaC16H21N7O4
Molecular Weight375.39 g/mol
Exact Mass375.17
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide
SMILESCOc1cc(/C=N/NC(=O)C(C)n2nnc(N3CCOCC3)n2)ccc1O
InChIInChI=1S/C16H21N7O4/c1-11(23-20-16(19-21-23)22-5-7-27-8-6-22)15(25)18-17-10-12-3-4-13(24)14(9-12)26-2/h3-4,9-11,24H,5-8H2,1-2H3,(H,18,25)/b17-10+
InChIKeyCZSFNSZLEBQJBO-LICLKQGHSA-N
XLogP-0.06
TPSA126.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide
CID 134092932
2-methoxy-4-[(Z)-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 156588206
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
2-methoxy-4-[(E)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135479775
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 4103485
4-[(E)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135593794
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
2-methoxy-4-[(E)-[[4-morpholin-4-yl-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135685495
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide (CID 137304084) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide is COc1cc(/C=N/NC(=O)C(C)n2nnc(N3CCOCC3)n2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide?
The InChIKey is CZSFNSZLEBQJBO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H21N7O4/c1-11(23-20-16(19-21-23)22-5-7-27-8-6-22)15(25)18-17-10-12-3-4-13(24)14(9-12)26-2/h3-4,9-11,24H,5-8H2,1-2H3,(H,18,25)/b17-10+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide has a molecular weight of 375.39 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide is sourced from PubChem (CID 137304084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).