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

C20H26N2O2 — CID 52679743

IUPACN-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide
SMILESCc1ccccc1OCCCN(C)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-17-10-7-8-13-19(17)24-15-9-14-21(2)16-20(23)22(3)18-11-5-4-6-12-18/h4-8,10-13H,9,14-16H2,1-3H3
InChIKeyLAAWMPQNBSJOPK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.36
Rot. Bonds8

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

N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide (PubChem CID 52679743) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide
PubChem CID52679743
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide
SMILESCc1ccccc1OCCCN(C)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-17-10-7-8-13-19(17)24-15-9-14-21(2)16-20(23)22(3)18-11-5-4-6-12-18/h4-8,10-13H,9,14-16H2,1-3H3
InChIKeyLAAWMPQNBSJOPK-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
CID 108883830
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
N-(2-fluorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 78898101
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 60507219
N'-(2-cyanoethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]-N'-phenylbutanediamide
CID 56577605
2-[4-(2-methylphenoxy)butanoyl-propylamino]acetic acid
CID 61007178
2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide
CID 113160082
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
phenyl 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanesulfonate
CID 52674821
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 60507065

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide (CID 52679743) is N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide is Cc1ccccc1OCCCN(C)CC(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide?
The InChIKey is LAAWMPQNBSJOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-17-10-7-8-13-19(17)24-15-9-14-21(2)16-20(23)22(3)18-11-5-4-6-12-18/h4-8,10-13H,9,14-16H2,1-3H3.
What are the key properties of N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide?
N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide has a molecular weight of 326.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide is sourced from PubChem (CID 52679743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).