2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C22H30N2O3 — CID 17213470

IUPAC2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCCCCCNCc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C22H30N2O3/c1-4-5-6-13-23-15-18-9-12-20(21(14-18)26-3)27-16-22(25)24-19-10-7-17(2)8-11-19/h7-12,14,23H,4-6,13,15-16H2,1-3H3,(H,24,25)
InChIKeyJWMXRNKUCRAQIT-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.30
Rot. Bonds11

About 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 17213470) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID17213470
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCCCCCNCc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C22H30N2O3/c1-4-5-6-13-23-15-18-9-12-20(21(14-18)26-3)27-16-22(25)24-19-10-7-17(2)8-11-19/h7-12,14,23H,4-6,13,15-16H2,1-3H3,(H,24,25)
InChIKeyJWMXRNKUCRAQIT-UHFFFAOYSA-N
XLogP4.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[3-(diethylamino)propylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17215371
2-[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17210725
2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66527897
2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213536
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4719473
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17293936
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213460
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide;hydrochloride
CID 17213459
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 17213470) is 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is CCCCCNCc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is JWMXRNKUCRAQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-5-6-13-23-15-18-9-12-20(21(14-18)26-3)27-16-22(25)24-19-10-7-17(2)8-11-19/h7-12,14,23H,4-6,13,15-16H2,1-3H3,(H,24,25).
What are the key properties of 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 370.49 g/mol, XLogP of 4.30, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 17213470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).