N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

C18H24N4O2 — CID 135713452

IUPACN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cc2cccn2C)c(O)c1
InChIInChI=1S/C18H24N4O2/c1-4-22(5-2)16-9-8-14(17(23)11-16)13-19-20-18(24)12-15-7-6-10-21(15)3/h6-11,13,23H,4-5,12H2,1-3H3,(H,20,24)/b19-13-
InChIKeyMQYCKJSOLWQZKX-UYRXBGFRSA-N
MW328.42 g/mol
LogP2.27
Rot. Bonds7

About N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 135713452) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID135713452
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cc2cccn2C)c(O)c1
InChIInChI=1S/C18H24N4O2/c1-4-22(5-2)16-9-8-14(17(23)11-16)13-19-20-18(24)12-15-7-6-10-21(15)3/h6-11,13,23H,4-5,12H2,1-3H3,(H,20,24)/b19-13-
InChIKeyMQYCKJSOLWQZKX-UYRXBGFRSA-N
XLogP2.27
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135400298
N'-[(E,2E)-3-(2-methoxyphenyl)-2-propenylidene]-2-(1-methyl-1H-pyrrol-2-yl)acetohydrazide
CID 6900062
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968272
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968274
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
CID 135968280
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 136239512
SCFSkp2-IN-2
CID 135457298
(E)-N'-(4-(diethylamino)-2-hydroxybenzylidene)pyrazine-2-carbohydrazide
CID 135506059
5-(diethylammonio)-2-{(E)-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]methyl}phenolate
CID 9613337
4-hydroxy-N-[(E)-1-(4-pyrrol-1-ylphenyl)ethylideneamino]benzamide
CID 76310054
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 135452582
(Z)-N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135754048

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (CID 135713452) is N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is CCN(CC)c1ccc(/C=N\NC(=O)Cc2cccn2C)c(O)c1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is MQYCKJSOLWQZKX-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-22(5-2)16-9-8-14(17(23)11-16)13-19-20-18(24)12-15-7-6-10-21(15)3/h6-11,13,23H,4-5,12H2,1-3H3,(H,20,24)/b19-13-.
What are the key properties of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 135713452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).