N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide

C21H26N2O3 — CID 54790094

IUPACN-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide
SMILESCc1ccccc1OC(C)C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16-8-6-7-11-19(16)26-17(2)21(25)23(15-13-20(22)24)14-12-18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3,(H2,22,24)
InChIKeyZIQIBSUARRRYIY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.71
Rot. Bonds9

About N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide

N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide (PubChem CID 54790094) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide
PubChem CID54790094
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide
SMILESCc1ccccc1OC(C)C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16-8-6-7-11-19(16)26-17(2)21(25)23(15-13-20(22)24)14-12-18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3,(H2,22,24)
InChIKeyZIQIBSUARRRYIY-UHFFFAOYSA-N
XLogP2.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-cyanophenoxy)propanoyl-(2-phenylethyl)amino]acetic acid
CID 120540489
N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide
CID 43888170
N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
CID 54789698
N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide
CID 54789497
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide
CID 120886600
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 54789701
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
3-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 54790002
3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 54789970
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide (CID 54790094) is N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide is Cc1ccccc1OC(C)C(=O)N(CCC(N)=O)CCc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide?
The InChIKey is ZIQIBSUARRRYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-8-6-7-11-19(16)26-17(2)21(25)23(15-13-20(22)24)14-12-18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3,(H2,22,24).
What are the key properties of N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide?
N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 54790094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).