2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide

C25H35N3O3 — CID 51986488

IUPAC2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CNC[C@H]2CCCN2CC)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H35N3O3/c1-4-28-14-6-7-22(28)17-26-16-20-10-13-23(24(15-20)30-5-2)31-18-25(29)27-21-11-8-19(3)9-12-21/h8-13,15,22,26H,4-7,14,16-18H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyNYHIELBGWXRPIE-JOCHJYFZSA-N
MW425.57 g/mol
LogP3.99
Rot. Bonds11

About 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 51986488) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID51986488
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CNC[C@H]2CCCN2CC)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H35N3O3/c1-4-28-14-6-7-22(28)17-26-16-20-10-13-23(24(15-20)30-5-2)31-18-25(29)27-21-11-8-19(3)9-12-21/h8-13,15,22,26H,4-7,14,16-18H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyNYHIELBGWXRPIE-JOCHJYFZSA-N
XLogP3.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 60590256
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283
2-[2-bromo-4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 51986320
2-[4-bromo-2-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986647
2-[4-chloro-2-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986965
2-[2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986239
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 2986953
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628263
2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66528287
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51986428
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 51986488) is 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide is CCOc1cc(CNC[C@H]2CCCN2CC)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is NYHIELBGWXRPIE-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-4-28-14-6-7-22(28)17-26-16-20-10-13-23(24(15-20)30-5-2)31-18-25(29)27-21-11-8-19(3)9-12-21/h8-13,15,22,26H,4-7,14,16-18H2,1-3H3,(H,27,29)/t22-/m1/s1.
What are the key properties of 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 425.57 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 51986488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).