N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide

C20H24N2O3 — CID 96509361

IUPACN-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide
SMILESC[C@@H](NC(=O)CCCc1ccccc1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-15(17-10-12-18(13-11-17)25-14-19(21)23)22-20(24)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,15H,5,8-9,14H2,1H3,(H2,21,23)(H,22,24)/t15-/m1/s1
InChIKeyVRXLBGAYBXIQSC-OAHLLOKOSA-N
MW340.42 g/mol
LogP2.75
Rot. Bonds9

About N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide

N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide (PubChem CID 96509361) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide
PubChem CID96509361
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide
SMILESC[C@@H](NC(=O)CCCc1ccccc1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-15(17-10-12-18(13-11-17)25-14-19(21)23)22-20(24)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,15H,5,8-9,14H2,1H3,(H2,21,23)(H,22,24)/t15-/m1/s1
InChIKeyVRXLBGAYBXIQSC-OAHLLOKOSA-N
XLogP2.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 96509347
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide
CID 95275156
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-phenoxyacetamide
CID 42902003
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[1-(4-cyanophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55582792
N-[(1S)-1-phenylethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 1314125
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide?
The IUPAC name of N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide (CID 96509361) is N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide is C[C@@H](NC(=O)CCCc1ccccc1)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide?
The InChIKey is VRXLBGAYBXIQSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(17-10-12-18(13-11-17)25-14-19(21)23)22-20(24)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,15H,5,8-9,14H2,1H3,(H2,21,23)(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide?
N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide has a molecular weight of 340.42 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide is sourced from PubChem (CID 96509361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).