2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide

C25H27N3O3 — CID 55337352

IUPAC2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2ccccc2NC(=O)c2ccccc2)N(C)C)c1
InChIInChI=1S/C25H27N3O3/c1-28(2)23(19-12-9-13-20(16-19)31-3)17-26-25(30)21-14-7-8-15-22(21)27-24(29)18-10-5-4-6-11-18/h4-16,23H,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyJBEDBRQKLAWANI-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.98
Rot. Bonds8

About 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide

2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 55337352) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID55337352
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2ccccc2NC(=O)c2ccccc2)N(C)C)c1
InChIInChI=1S/C25H27N3O3/c1-28(2)23(19-12-9-13-20(16-19)31-3)17-26-25(30)21-14-7-8-15-22(21)27-24(29)18-10-5-4-6-11-18/h4-16,23H,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyJBEDBRQKLAWANI-UHFFFAOYSA-N
XLogP3.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 55337326
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51186700
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-nitrobenzamide
CID 45001537
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
CID 43445772

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide (CID 55337352) is 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(CNC(=O)c2ccccc2NC(=O)c2ccccc2)N(C)C)c1.
What is the InChIKey of 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is JBEDBRQKLAWANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-28(2)23(19-12-9-13-20(16-19)31-3)17-26-25(30)21-14-7-8-15-22(21)27-24(29)18-10-5-4-6-11-18/h4-16,23H,17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55337352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).