(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide

C19H28N2O3 — CID 95601592

IUPAC(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)[C@@H](OC1CCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)21-16(22)13-20-18(23)17(14-9-5-4-6-10-14)24-15-11-7-8-12-15/h4-6,9-10,15,17H,7-8,11-13H2,1-3H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyXNPSKYVYGVLTAF-KRWDZBQOSA-N
MW332.44 g/mol
LogP2.72
Rot. Bonds6

About (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide

(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide (PubChem CID 95601592) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide
PubChem CID95601592
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)[C@@H](OC1CCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)21-16(22)13-20-18(23)17(14-9-5-4-6-10-14)24-15-11-7-8-12-15/h4-6,9-10,15,17H,7-8,11-13H2,1-3H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyXNPSKYVYGVLTAF-KRWDZBQOSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyloxy-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 111332884
(2R)-N-(1-acetylpiperidin-4-yl)-2-cyclopentyloxy-2-phenylacetamide
CID 95304150
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
(2R)-2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 95284676
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
(2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide
CID 95630267
N-[2-(cycloheptylamino)ethyl]-2-methoxy-2-phenylacetamide;hydrochloride
CID 119621225
2-cyclopentyloxy-N-[3-(hydroxymethyl)phenyl]-2-phenylacetamide
CID 110923698
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide
CID 111697096
(2S)-2-cyclopropyloxy-2-phenylacetic acid
CID 167014814
2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 110923625

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide (CID 95601592) is (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide is CC(C)(C)NC(=O)CNC(=O)[C@@H](OC1CCCC1)c1ccccc1.
What is the InChIKey of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide?
The InChIKey is XNPSKYVYGVLTAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)21-16(22)13-20-18(23)17(14-9-5-4-6-10-14)24-15-11-7-8-12-15/h4-6,9-10,15,17H,7-8,11-13H2,1-3H3,(H,20,23)(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide?
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide has a molecular weight of 332.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide is sourced from PubChem (CID 95601592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).