2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide

C20H26N2O2 — CID 113425680

IUPAC2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
SMILESCNCCc1ccccc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-21-14-12-18-10-5-6-11-19(18)20(23)22-13-7-15-24-16-17-8-3-2-4-9-17/h2-6,8-11,21H,7,12-16H2,1H3,(H,22,23)
InChIKeyIKEPHMMSNJUUTP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.79
Rot. Bonds10

About 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide

2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide (PubChem CID 113425680) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
PubChem CID113425680
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
SMILESCNCCc1ccccc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-21-14-12-18-10-5-6-11-19(18)20(23)22-13-7-15-24-16-17-8-3-2-4-9-17/h2-6,8-11,21H,7,12-16H2,1H3,(H,22,23)
InChIKeyIKEPHMMSNJUUTP-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
CID 114160142
2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
CID 114332137
2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide
CID 104547749
N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
CID 119431897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide (CID 113425680) is 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide is CNCCc1ccccc1C(=O)NCCCOCc1ccccc1.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide?
The InChIKey is IKEPHMMSNJUUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-21-14-12-18-10-5-6-11-19(18)20(23)22-13-7-15-24-16-17-8-3-2-4-9-17/h2-6,8-11,21H,7,12-16H2,1H3,(H,22,23).
What are the key properties of 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide?
2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide has a molecular weight of 326.44 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide is sourced from PubChem (CID 113425680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).