2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

C23H29N3O3 — CID 24551423

IUPAC2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C23H29N3O3/c1-2-29-21-12-6-5-11-20(21)23(28)25-16-22(27)24-15-18-9-3-4-10-19(18)17-26-13-7-8-14-26/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyGAIKTANZNPLLQA-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.73
Rot. Bonds9

About 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 24551423) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID24551423
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C23H29N3O3/c1-2-29-21-12-6-5-11-20(21)23(28)25-16-22(27)24-15-18-9-3-4-10-19(18)17-26-13-7-8-14-26/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyGAIKTANZNPLLQA-UHFFFAOYSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 55429146
2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 9314669

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (CID 24551423) is 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NCc1ccccc1CN1CCCC1.
What is the InChIKey of 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is GAIKTANZNPLLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-29-21-12-6-5-11-20(21)23(28)25-16-22(27)24-15-18-9-3-4-10-19(18)17-26-13-7-8-14-26/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 24551423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).