(2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide

C19H28N2O3 — CID 95771838

IUPAC(2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide
SMILESCC[C@H](CN1CCCC1)NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C19H28N2O3/c1-4-17(13-21-10-5-6-11-21)20-19(23)15(3)24-18-9-7-8-16(12-18)14(2)22/h7-9,12,15,17H,4-6,10-11,13H2,1-3H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyNGYWKMDVFCNHSS-DOTOQJQBSA-N
MW332.44 g/mol
LogP2.65
Rot. Bonds8

About (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide

(2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide (PubChem CID 95771838) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide
PubChem CID95771838
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide
SMILESCC[C@H](CN1CCCC1)NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C19H28N2O3/c1-4-17(13-21-10-5-6-11-21)20-19(23)15(3)24-18-9-7-8-16(12-18)14(2)22/h7-9,12,15,17H,4-6,10-11,13H2,1-3H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyNGYWKMDVFCNHSS-DOTOQJQBSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505135
cis-(1R,3S)-3-[2-(3-acetylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678358
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119113818
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391090
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide (CID 95771838) is (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide is CC[C@H](CN1CCCC1)NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1.
What is the InChIKey of (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide?
The InChIKey is NGYWKMDVFCNHSS-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-17(13-21-10-5-6-11-21)20-19(23)15(3)24-18-9-7-8-16(12-18)14(2)22/h7-9,12,15,17H,4-6,10-11,13H2,1-3H3,(H,20,23)/t15-,17+/m0/s1.
What are the key properties of (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide?
(2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide has a molecular weight of 332.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide is sourced from PubChem (CID 95771838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).