N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide

C21H28N2O2 — CID 109022877

IUPACN-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNCCc1ccccc1OC
InChIInChI=1S/C21H28N2O2/c1-3-23(17-18-9-5-4-6-10-18)21(24)14-16-22-15-13-19-11-7-8-12-20(19)25-2/h4-12,22H,3,13-17H2,1-2H3
InChIKeyCTZJTZSDMUARQU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.27
Rot. Bonds10

About N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide

N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide (PubChem CID 109022877) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
PubChem CID109022877
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNCCc1ccccc1OC
InChIInChI=1S/C21H28N2O2/c1-3-23(17-18-9-5-4-6-10-18)21(24)14-16-22-15-13-19-11-7-8-12-20(19)25-2/h4-12,22H,3,13-17H2,1-2H3
InChIKeyCTZJTZSDMUARQU-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109022875
N-benzyl-N-ethyl-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998287
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N-benzyl-N-ethyl-2-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111338904
N-benzyl-N-ethyl-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109190707
N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
CID 109022967
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
CID 108998963
N-benzyl-N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109157599
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111217705
N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334734

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide (CID 109022877) is N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide is CCN(Cc1ccccc1)C(=O)CCNCCc1ccccc1OC.
What is the InChIKey of N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The InChIKey is CTZJTZSDMUARQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-23(17-18-9-5-4-6-10-18)21(24)14-16-22-15-13-19-11-7-8-12-20(19)25-2/h4-12,22H,3,13-17H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109022877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).