2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide

C22H28N4O4 — CID 110512029

IUPAC2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C22H28N4O4/c1-4-26(5-2)21(27)15-30-19-12-11-16(13-20(19)29-6-3)14-24-25-22(28)17-9-7-8-10-18(17)23/h7-14H,4-6,15,23H2,1-3H3,(H,25,28)/b24-14-
InChIKeyXVUCIAPWBUAXPG-OYKKKHCWSA-N
MW412.49 g/mol
LogP2.68
Rot. Bonds10

About 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide

2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide (PubChem CID 110512029) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide
PubChem CID110512029
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C22H28N4O4/c1-4-26(5-2)21(27)15-30-19-12-11-16(13-20(19)29-6-3)14-24-25-22(28)17-9-7-8-10-18(17)23/h7-14H,4-6,15,23H2,1-3H3,(H,25,28)/b24-14-
InChIKeyXVUCIAPWBUAXPG-OYKKKHCWSA-N
XLogP2.68
TPSA106.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969
N-[(E)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 6910148
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-2-[(2-bromobenzoyl)amino]benzamide
CID 6262437
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837
2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide
CID 110506196
N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 9015583
2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512074
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
2-[4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-diethylacetamide
CID 110840203
2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4517422
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide (CID 110512029) is 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide is CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)N(CC)CC.
What is the InChIKey of 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide?
The InChIKey is XVUCIAPWBUAXPG-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-4-26(5-2)21(27)15-30-19-12-11-16(13-20(19)29-6-3)14-24-25-22(28)17-9-7-8-10-18(17)23/h7-14H,4-6,15,23H2,1-3H3,(H,25,28)/b24-14-.
What are the key properties of 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide?
2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide has a molecular weight of 412.49 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 110512029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).