2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide

C21H26N2O2 — CID 95208495

IUPAC2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide
SMILESCOCC(=O)Nc1ccccc1-c1ccc([C@H](C)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(23-13-5-6-14-23)17-9-11-18(12-10-17)19-7-3-4-8-20(19)22-21(24)15-25-2/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyBTDRKCPHYYNZOG-INIZCTEOSA-N
MW338.45 g/mol
LogP4.10
Rot. Bonds6

About 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide

2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide (PubChem CID 95208495) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide
PubChem CID95208495
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide
SMILESCOCC(=O)Nc1ccccc1-c1ccc([C@H](C)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(23-13-5-6-14-23)17-9-11-18(12-10-17)19-7-3-4-8-20(19)22-21(24)15-25-2/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyBTDRKCPHYYNZOG-INIZCTEOSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide
CID 72839201
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
CID 8019936
[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate
CID 7848060
2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 131889010
3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
CID 112830357
N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide
CID 69191671
[2-oxo-2-(2-phenylanilino)ethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 8899306
[2-oxo-2-(2-phenylanilino)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 8899301
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8587774

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide (CID 95208495) is 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide is COCC(=O)Nc1ccccc1-c1ccc([C@H](C)N2CCCC2)cc1.
What is the InChIKey of 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide?
The InChIKey is BTDRKCPHYYNZOG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(23-13-5-6-14-23)17-9-11-18(12-10-17)19-7-3-4-8-20(19)22-21(24)15-25-2/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide?
2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 95208495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).