[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium

C24H27N2O2+ — CID 7386993

IUPAC[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium
SMILESCc1cccc(NC(=O)COc2ccccc2C[NH2+][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)/p+1/t19-/m0/s1
InChIKeyCAQVTWMVWQNIIU-IBGZPJMESA-O
MW375.49 g/mol
LogP3.84
Rot. Bonds8

About [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium

[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium (PubChem CID 7386993) has the molecular formula C24H27N2O2+ and a molecular weight of 375.49 g/mol. Its IUPAC name is [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium
PubChem CID7386993
Molecular FormulaC24H27N2O2+
Molecular Weight375.49 g/mol
Exact Mass375.21
IUPAC Name[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium
SMILESCc1cccc(NC(=O)COc2ccccc2C[NH2+][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)/p+1/t19-/m0/s1
InChIKeyCAQVTWMVWQNIIU-IBGZPJMESA-O
XLogP3.84
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7387007
2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 19615651
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126212904
2-(2-acetamidophenoxy)-N-(3-methylphenyl)acetamide
CID 7867297
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
N-(3-methylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 24693195
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium (CID 7386993) is [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium is Cc1cccc(NC(=O)COc2ccccc2C[NH2+][C@@H](C)c2ccccc2)c1.
What is the InChIKey of [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium?
The InChIKey is CAQVTWMVWQNIIU-IBGZPJMESA-O. 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)/p+1/t19-/m0/s1.
What are the key properties of [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium?
[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium has a molecular weight of 375.49 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 7386993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).