(2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide

C20H28N2O3 — CID 9291791

IUPAC(2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O3/c1-15(20(24)21-16-7-4-2-3-5-8-16)25-18-12-10-17(11-13-18)22-14-6-9-19(22)23/h10-13,15-16H,2-9,14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyYOMKPGGSZUVLSD-HNNXBMFYSA-N
MW344.45 g/mol
LogP3.42
Rot. Bonds5

About (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide

(2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide (PubChem CID 9291791) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
PubChem CID9291791
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O3/c1-15(20(24)21-16-7-4-2-3-5-8-16)25-18-12-10-17(11-13-18)22-14-6-9-19(22)23/h10-13,15-16H,2-9,14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyYOMKPGGSZUVLSD-HNNXBMFYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633897
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132940
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 100757502
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide (CID 9291791) is (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide is C[C@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
The InChIKey is YOMKPGGSZUVLSD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(20(24)21-16-7-4-2-3-5-8-16)25-18-12-10-17(11-13-18)22-14-6-9-19(22)23/h10-13,15-16H,2-9,14H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
(2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide has a molecular weight of 344.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide is sourced from PubChem (CID 9291791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).