N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide

C22H28N2O3 — CID 51497374

IUPACN-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide
SMILESCOc1ccccc1CN(Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCO1
InChIInChI=1S/C22H28N2O3/c1-17(25)23-20-11-9-18(10-12-20)14-24(16-21-7-5-13-27-21)15-19-6-3-4-8-22(19)26-2/h3-4,6,8-12,21H,5,7,13-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyNRGWFUMYWKMQCA-OAQYLSRUSA-N
MW368.48 g/mol
LogP3.83
Rot. Bonds8

About N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide

N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide (PubChem CID 51497374) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide
PubChem CID51497374
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide
SMILESCOc1ccccc1CN(Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCO1
InChIInChI=1S/C22H28N2O3/c1-17(25)23-20-11-9-18(10-12-20)14-24(16-21-7-5-13-27-21)15-19-6-3-4-8-22(19)26-2/h3-4,6,8-12,21H,5,7,13-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyNRGWFUMYWKMQCA-OAQYLSRUSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 78899690
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60500846
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51497422
N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60501069
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 87018083
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone
CID 60500781
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 51497390

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide (CID 51497374) is N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide is COc1ccccc1CN(Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCO1.
What is the InChIKey of N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide?
The InChIKey is NRGWFUMYWKMQCA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(25)23-20-11-9-18(10-12-20)14-24(16-21-7-5-13-27-21)15-19-6-3-4-8-22(19)26-2/h3-4,6,8-12,21H,5,7,13-16H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide?
N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 51497374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).