N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

C25H32N2O3 — CID 42383079

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCC1(C)C[C@@H](NC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CCO1
InChIInChI=1S/C25H32N2O3/c1-24(2)17-21(11-14-30-24)26-22(28)9-12-25(13-10-23(29)27-25)16-18-7-8-19-5-3-4-6-20(19)15-18/h3-8,15,21H,9-14,16-17H2,1-2H3,(H,26,28)(H,27,29)/t21-,25-/m0/s1
InChIKeySSGNJGMGWQNMBU-OFVILXPXSA-N
MW408.54 g/mol
LogP3.89
Rot. Bonds6

About N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 42383079) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID42383079
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCC1(C)C[C@@H](NC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CCO1
InChIInChI=1S/C25H32N2O3/c1-24(2)17-21(11-14-30-24)26-22(28)9-12-25(13-10-23(29)27-25)16-18-7-8-19-5-3-4-6-20(19)15-18/h3-8,15,21H,9-14,16-17H2,1-2H3,(H,26,28)(H,27,29)/t21-,25-/m0/s1
InChIKeySSGNJGMGWQNMBU-OFVILXPXSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-2,2-dimethyloxan-4-yl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42383086
3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42346776
methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate
CID 26281257
(5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 42539619
N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45179274
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42210774
N-[2-(2-methoxyphenyl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45183240
N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45241782
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45195292
N-(2,3-dihydro-1H-inden-2-yl)-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42501402
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135907220

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (CID 42383079) is N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is CC1(C)C[C@@H](NC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CCO1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is SSGNJGMGWQNMBU-OFVILXPXSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-24(2)17-21(11-14-30-24)26-22(28)9-12-25(13-10-23(29)27-25)16-18-7-8-19-5-3-4-6-20(19)15-18/h3-8,15,21H,9-14,16-17H2,1-2H3,(H,26,28)(H,27,29)/t21-,25-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 408.54 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 42383079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).