N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide

C18H22N2O2 — CID 119528615

IUPACN-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-8-10-16(11-9-13)22-14(2)18(21)20-12-17(19)15-6-4-3-5-7-15/h3-11,14,17H,12,19H2,1-2H3,(H,20,21)
InChIKeyVAZYAUBDAMHIBU-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.58
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide

N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide (PubChem CID 119528615) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide
PubChem CID119528615
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-8-10-16(11-9-13)22-14(2)18(21)20-12-17(19)15-6-4-3-5-7-15/h3-11,14,17H,12,19H2,1-2H3,(H,20,21)
InChIKeyVAZYAUBDAMHIBU-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169
(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173170
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51174507

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide (CID 119528615) is N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NCC(N)c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is VAZYAUBDAMHIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-8-10-16(11-9-13)22-14(2)18(21)20-12-17(19)15-6-4-3-5-7-15/h3-11,14,17H,12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide?
N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 119528615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).