N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide

C21H28N2O2 — CID 119439493

IUPACN-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCCNCc1ccccc1NC(=O)Cc1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-4-22-14-18-7-5-6-8-20(18)23-21(24)13-17-9-11-19(12-10-17)25-15-16(2)3/h5-12,16,22H,4,13-15H2,1-3H3,(H,23,24)
InChIKeySTVWYHDAJNMNJB-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.01
Rot. Bonds9

About N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide

N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide (PubChem CID 119439493) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
PubChem CID119439493
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCCNCc1ccccc1NC(=O)Cc1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-4-22-14-18-7-5-6-8-20(18)23-21(24)13-17-9-11-19(12-10-17)25-15-16(2)3/h5-12,16,22H,4,13-15H2,1-3H3,(H,23,24)
InChIKeySTVWYHDAJNMNJB-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
2-(4-ethoxyphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439853
2-(4-ethoxyphenyl)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 60653646
2-(2-methylphenyl)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 26163358
2-[2-(difluoromethoxy)phenyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439694
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594
2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide
CID 119438980
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 119439866

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide (CID 119439493) is N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide is CCNCc1ccccc1NC(=O)Cc1ccc(OCC(C)C)cc1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is STVWYHDAJNMNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-22-14-18-7-5-6-8-20(18)23-21(24)13-17-9-11-19(12-10-17)25-15-16(2)3/h5-12,16,22H,4,13-15H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 119439493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).