N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide

C24H26N2O2 — CID 7387007

IUPACN-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2CN[C@H](C)c2ccccc2)c1
InChIInChI=1S/C24H26N2O2/c1-18-9-8-13-22(15-18)26-24(27)17-28-23-14-7-6-12-21(23)16-25-19(2)20-10-4-3-5-11-20/h3-15,19,25H,16-17H2,1-2H3,(H,26,27)/t19-/m1/s1
InChIKeyCAQVTWMVWQNIIU-LJQANCHMSA-N
MW374.48 g/mol
LogP4.86
Rot. Bonds8

About N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide

N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide (PubChem CID 7387007) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
PubChem CID7387007
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2CN[C@H](C)c2ccccc2)c1
InChIInChI=1S/C24H26N2O2/c1-18-9-8-13-22(15-18)26-24(27)17-28-23-14-7-6-12-21(23)16-25-19(2)20-10-4-3-5-11-20/h3-15,19,25H,16-17H2,1-2H3,(H,26,27)/t19-/m1/s1
InChIKeyCAQVTWMVWQNIIU-LJQANCHMSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 19615651
[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium
CID 7386993
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126212904
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-(2-acetamidophenoxy)-N-(3-methylphenyl)acetamide
CID 7867297
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833
N-(3-methylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 24693195
(1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 81369954
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877767
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide (CID 7387007) is N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide is Cc1cccc(NC(=O)COc2ccccc2CN[C@H](C)c2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The InChIKey is CAQVTWMVWQNIIU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18-9-8-13-22(15-18)26-24(27)17-28-23-14-7-6-12-21(23)16-25-19(2)20-10-4-3-5-11-20/h3-15,19,25H,16-17H2,1-2H3,(H,26,27)/t19-/m1/s1.
What are the key properties of N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide has a molecular weight of 374.48 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 7387007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).