N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide

C21H28N2O3 — CID 60507219

IUPACN-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)CCCOc2ccccc2C)c1
InChIInChI=1S/C21H28N2O3/c1-17-8-4-5-11-20(17)26-13-7-12-23(2)16-21(24)22-15-18-9-6-10-19(14-18)25-3/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,22,24)
InChIKeyNFQAENKLBTXJKO-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.02
Rot. Bonds10

About N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide

N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide (PubChem CID 60507219) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
PubChem CID60507219
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)CCCOc2ccccc2C)c1
InChIInChI=1S/C21H28N2O3/c1-17-8-4-5-11-20(17)26-13-7-12-23(2)16-21(24)22-15-18-9-6-10-19(14-18)25-3/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,22,24)
InChIKeyNFQAENKLBTXJKO-UHFFFAOYSA-N
XLogP3.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26425733
2-(N-ethyl-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 78821752
2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921514
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884018
N-[(4-methoxyphenyl)methyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 32614696
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 52679751
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 55869110
2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid
CID 24761813
N-[(4-fluorophenyl)methyl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
CID 60517286
N-(2-fluorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 78898101
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60507252

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide (CID 60507219) is N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide is COc1cccc(CNC(=O)CN(C)CCCOc2ccccc2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
The InChIKey is NFQAENKLBTXJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-17-8-4-5-11-20(17)26-13-7-12-23(2)16-21(24)22-15-18-9-6-10-19(14-18)25-3/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide is sourced from PubChem (CID 60507219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).