N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide

C20H26N2O2 — CID 119527740

IUPACN-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-14(2)17-10-7-11-18(12-17)24-15(3)20(23)22-13-19(21)16-8-5-4-6-9-16/h4-12,14-15,19H,13,21H2,1-3H3,(H,22,23)
InChIKeyRMPNCUSISHWFOH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.39
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide

N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 119527740) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID119527740
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-14(2)17-10-7-11-18(12-17)24-15(3)20(23)22-13-19(21)16-8-5-4-6-9-16/h4-12,14-15,19H,13,21H2,1-3H3,(H,22,23)
InChIKeyRMPNCUSISHWFOH-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide
CID 119528615
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
CID 43116403
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
5-[[2-(3-propan-2-ylphenoxy)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246296
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide (CID 119527740) is N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide is CC(Oc1cccc(C(C)C)c1)C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is RMPNCUSISHWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)17-10-7-11-18(12-17)24-15(3)20(23)22-13-19(21)16-8-5-4-6-9-16/h4-12,14-15,19H,13,21H2,1-3H3,(H,22,23).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide?
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.39, 7 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-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 119527740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).