N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C27H34N2O4 — CID 55895378

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2cc(C(=O)N3CC(C)CC(C)C3)ccc2C)c(OC)c1
InChIInChI=1S/C27H34N2O4/c1-6-7-21-9-11-24(25(13-21)32-5)33-17-26(30)28-23-14-22(10-8-20(23)4)27(31)29-15-18(2)12-19(3)16-29/h6,8-11,13-14,18-19H,1,7,12,15-17H2,2-5H3,(H,28,30)
InChIKeyBCJNNJUFJQWXRJ-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.87
Rot. Bonds8

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 55895378) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID55895378
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2cc(C(=O)N3CC(C)CC(C)C3)ccc2C)c(OC)c1
InChIInChI=1S/C27H34N2O4/c1-6-7-21-9-11-24(25(13-21)32-5)33-17-26(30)28-23-14-22(10-8-20(23)4)27(31)29-15-18(2)12-19(3)16-29/h6,8-11,13-14,18-19H,1,7,12,15-17H2,2-5H3,(H,28,30)
InChIKeyBCJNNJUFJQWXRJ-UHFFFAOYSA-N
XLogP4.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
CID 55895000
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
CID 112846190
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528
N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55895003
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 55895378) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)Nc2cc(C(=O)N3CC(C)CC(C)C3)ccc2C)c(OC)c1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is BCJNNJUFJQWXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-6-7-21-9-11-24(25(13-21)32-5)33-17-26(30)28-23-14-22(10-8-20(23)4)27(31)29-15-18(2)12-19(3)16-29/h6,8-11,13-14,18-19H,1,7,12,15-17H2,2-5H3,(H,28,30).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 450.58 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 55895378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).