N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide

C20H24N2O3 — CID 9461147

IUPACN-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-8-6-14(7-9-16)13-21-22-19(23)15-10-17(24-4)12-18(11-15)25-5/h6-13H,1-5H3,(H,22,23)/b21-13-
InChIKeyNMWKIMCLASCOGU-BKUYFWCQSA-N
MW340.42 g/mol
LogP3.77
Rot. Bonds5

About N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide (PubChem CID 9461147) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
PubChem CID9461147
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-8-6-14(7-9-16)13-21-22-19(23)15-10-17(24-4)12-18(11-15)25-5/h6-13H,1-5H3,(H,22,23)/b21-13-
InChIKeyNMWKIMCLASCOGU-BKUYFWCQSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
2-[4-[[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4035546
3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide
CID 5236851
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 3930747
4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide
CID 4980428
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide (CID 9461147) is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N/N=C\c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is NMWKIMCLASCOGU-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)16-8-6-14(7-9-16)13-21-22-19(23)15-10-17(24-4)12-18(11-15)25-5/h6-13H,1-5H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide?
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 9461147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).