N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide

C22H27N3O5 — CID 9359256

IUPACN-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1O[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C22H27N3O5/c1-6-29-20-13-16(7-12-19(20)30-15(2)22(27)25(3)4)14-23-24-21(26)17-8-10-18(28-5)11-9-17/h7-15H,6H2,1-5H3,(H,24,26)/b23-14-/t15-/m0/s1
InChIKeyZEYGIFYOWKZOSM-DZIKBWIISA-N
MW413.47 g/mol
LogP2.71
Rot. Bonds9

About N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide

N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide (PubChem CID 9359256) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide
PubChem CID9359256
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1O[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C22H27N3O5/c1-6-29-20-13-16(7-12-19(20)30-15(2)22(27)25(3)4)14-23-24-21(26)17-8-10-18(28-5)11-9-17/h7-15H,6H2,1-5H3,(H,24,26)/b23-14-/t15-/m0/s1
InChIKeyZEYGIFYOWKZOSM-DZIKBWIISA-N
XLogP2.71
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide with MolForge

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Related Compounds

N-[(Z)-[4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9359495
[2-ethoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 5044572
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 112537989
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
[4-[(benzoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 4187043
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 3763073
N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6872882
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
4-ethoxy-N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 17246424
2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 4617566
4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9070784

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide (CID 9359256) is N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide is CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1O[C@@H](C)C(=O)N(C)C.
What is the InChIKey of N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide?
The InChIKey is ZEYGIFYOWKZOSM-DZIKBWIISA-N. The full InChI is InChI=1S/C22H27N3O5/c1-6-29-20-13-16(7-12-19(20)30-15(2)22(27)25(3)4)14-23-24-21(26)17-8-10-18(28-5)11-9-17/h7-15H,6H2,1-5H3,(H,24,26)/b23-14-/t15-/m0/s1.
What are the key properties of N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide?
N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide has a molecular weight of 413.47 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 9359256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).