3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide

C20H27N3O2 — CID 119837714

IUPAC3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(N)c1)c1cccc(OC)c1
InChIInChI=1S/C20H27N3O2/c1-4-23(5-2)19(15-8-7-11-18(13-15)25-3)14-22-20(24)16-9-6-10-17(21)12-16/h6-13,19H,4-5,14,21H2,1-3H3,(H,22,24)
InChIKeyZZOQPRQBNCECDS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.09
Rot. Bonds8

About 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide

3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 119837714) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID119837714
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(N)c1)c1cccc(OC)c1
InChIInChI=1S/C20H27N3O2/c1-4-23(5-2)19(15-8-7-11-18(13-15)25-3)14-22-20(24)16-9-6-10-17(21)12-16/h6-13,19H,4-5,14,21H2,1-3H3,(H,22,24)
InChIKeyZZOQPRQBNCECDS-UHFFFAOYSA-N
XLogP3.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55527244
N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 30546325
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46538069
4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide
CID 25496834
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46692231
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 43054752

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide (CID 119837714) is 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide is CCN(CC)C(CNC(=O)c1cccc(N)c1)c1cccc(OC)c1.
What is the InChIKey of 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is ZZOQPRQBNCECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-23(5-2)19(15-8-7-11-18(13-15)25-3)14-22-20(24)16-9-6-10-17(21)12-16/h6-13,19H,4-5,14,21H2,1-3H3,(H,22,24).
What are the key properties of 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 341.46 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 119837714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).