N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide

C18H21N3O2 — CID 6870860

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-14-5-4-6-17(11-14)23-13-18(22)20-19-12-15-7-9-16(10-8-15)21(2)3/h4-12H,13H2,1-3H3,(H,20,22)/b19-12+
InChIKeyPFVRSUIRLIOBGD-XDHOZWIPSA-N
MW311.39 g/mol
LogP2.59
Rot. Bonds6

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 6870860) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID6870860
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-14-5-4-6-17(11-14)23-13-18(22)20-19-12-15-7-9-16(10-8-15)21(2)3/h4-12H,13H2,1-3H3,(H,20,22)/b19-12+
InChIKeyPFVRSUIRLIOBGD-XDHOZWIPSA-N
XLogP2.59
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.59
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

2-(3,5-dimethylphenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 2231395
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-phenoxyacetohydrazide
CID 6862809
2-{4-[2-(aminocarbothioyl)carbohydrazonoyl]-2-methoxyphenoxy}-N-(4-methylphenyl)acetamide
CID 6874331
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 6876206
2-{4-[(E)-[(carbamoylamino)imino]methyl]-2-ethoxyphenoxy}-N-(3,4-dimethylphenyl)acetamide
CID 6876207
2-[(4-methylphenyl)amino]-N'-[(1E)-(3-phenoxyphenyl)methylene]acetohydrazide
CID 9552671
N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5429349
2-[(3-Methylphenyl)amino]-N'-[(Z)-(3-phenoxyphenyl)methylidene]acetohydrazide
CID 6143546
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 6392011
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 6875401
2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6901783
N'-{(1E)-[4-(dimethylamino)phenyl]methylene}-2-(4-methoxyphenoxy)acetohydrazide
CID 9556572

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide (CID 6870860) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is PFVRSUIRLIOBGD-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-5-4-6-17(11-14)23-13-18(22)20-19-12-15-7-9-16(10-8-15)21(2)3/h4-12H,13H2,1-3H3,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 6870860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).