N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide

C26H30N4O2 — CID 143870942

IUPACN,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide
SMILESCN(C)C.[H]/N=C(\C(=O)Nc1ccc(C)cc1)c1ccccc1NCc1ccc(C=O)cc1
InChIInChI=1S/C23H21N3O2.C3H9N/c1-16-6-12-19(13-7-16)26-23(28)22(24)20-4-2-3-5-21(20)25-14-17-8-10-18(15-27)11-9-17;1-4(2)3/h2-13,15,24-25H,14H2,1H3,(H,26,28);1-3H3/b24-22-;
InChIKeyKZNHXAWVWZLPHE-WKKHQKTCSA-N
MW430.55 g/mol
LogP4.60
Rot. Bonds7

About N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide

N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide (PubChem CID 143870942) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide
PubChem CID143870942
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide
SMILESCN(C)C.[H]/N=C(\C(=O)Nc1ccc(C)cc1)c1ccccc1NCc1ccc(C=O)cc1
InChIInChI=1S/C23H21N3O2.C3H9N/c1-16-6-12-19(13-7-16)26-23(28)22(24)20-4-2-3-5-21(20)25-14-17-8-10-18(15-27)11-9-17;1-4(2)3/h2-13,15,24-25H,14H2,1H3,(H,26,28);1-3H3/b24-22-;
InChIKeyKZNHXAWVWZLPHE-WKKHQKTCSA-N
XLogP4.60
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-tert-butylphenyl)methylamino]phenyl]-2-imino-N-(4-piperidin-1-ylphenyl)acetamide
CID 143870865
4-[(4-methylphenyl)methylamino]benzaldehyde
CID 89270360
N-[2-[amino-[(Z)-1-amino-3-methylbut-1-en-2-yl]amino]ethyl]-2-[2-[(4-chlorophenyl)methylamino]phenyl]-2-iminoacetamide
CID 166984738
N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide
CID 43726479
2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid
CID 123894149
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
CID 142082926
4-[(2-carbamimidoylanilino)methyl]benzoic acid
CID 82253624
4-[(2-carbamimidoylanilino)methyl]benzoic acid;hydrochloride
CID 82253623
5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62514277
2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide
CID 112982147

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide?
The IUPAC name of N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide (CID 143870942) is N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide?
The canonical SMILES for N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide is CN(C)C.[H]/N=C(\C(=O)Nc1ccc(C)cc1)c1ccccc1NCc1ccc(C=O)cc1.
What is the InChIKey of N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide?
The InChIKey is KZNHXAWVWZLPHE-WKKHQKTCSA-N. The full InChI is InChI=1S/C23H21N3O2.C3H9N/c1-16-6-12-19(13-7-16)26-23(28)22(24)20-4-2-3-5-21(20)25-14-17-8-10-18(15-27)11-9-17;1-4(2)3/h2-13,15,24-25H,14H2,1H3,(H,26,28);1-3H3/b24-22-;.
What are the key properties of N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide?
N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-[2-[(4-formylphenyl)methylamino]phenyl]-2-imino-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 143870942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).