N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide

C20H22N2O3 — CID 38217020

IUPACN-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C20H22N2O3/c23-18(13-21-19(24)14-25-17-9-5-2-6-10-17)22-20(16-11-12-16)15-7-3-1-4-8-15/h1-10,16,20H,11-14H2,(H,21,24)(H,22,23)/t20-/m1/s1
InChIKeyCLATWXBYUFKGCG-HXUWFJFHSA-N
MW338.41 g/mol
LogP2.45
Rot. Bonds8

About N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide

N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 38217020) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID38217020
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C20H22N2O3/c23-18(13-21-19(24)14-25-17-9-5-2-6-10-17)22-20(16-11-12-16)15-7-3-1-4-8-15/h1-10,16,20H,11-14H2,(H,21,24)(H,22,23)/t20-/m1/s1
InChIKeyCLATWXBYUFKGCG-HXUWFJFHSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 75800081
3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid
CID 120535828
N-[(2S)-1,1-diphenylpropan-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38595856
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
CID 63294026
N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 110891903
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide (CID 38217020) is N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)NCC(=O)N[C@H](c1ccccc1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is CLATWXBYUFKGCG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18(13-21-19(24)14-25-17-9-5-2-6-10-17)22-20(16-11-12-16)15-7-3-1-4-8-15/h1-10,16,20H,11-14H2,(H,21,24)(H,22,23)/t20-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 38217020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).