(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide

C25H28N2O2 — CID 99951850

IUPAC(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-2-24(29-23-14-11-20-7-3-4-8-21(20)17-23)25(28)26-18-19-9-12-22(13-10-19)27-15-5-6-16-27/h3-4,7-14,17,24H,2,5-6,15-16,18H2,1H3,(H,26,28)/t24-/m0/s1
InChIKeyLBPMUNFTSBKDFN-DEOSSOPVSA-N
MW388.51 g/mol
LogP4.91
Rot. Bonds7

About (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide

(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide (PubChem CID 99951850) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
PubChem CID99951850
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-2-24(29-23-14-11-20-7-3-4-8-21(20)17-23)25(28)26-18-19-9-12-22(13-10-19)27-15-5-6-16-27/h3-4,7-14,17,24H,2,5-6,15-16,18H2,1H3,(H,26,28)/t24-/m0/s1
InChIKeyLBPMUNFTSBKDFN-DEOSSOPVSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 30400873
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166849
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305
N-[(4-morpholin-4-ylphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282855
(2S)-2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
(2S)-2-(4-methoxyphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015127
(2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100548564

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide (CID 99951850) is (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide?
The InChIKey is LBPMUNFTSBKDFN-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-24(29-23-14-11-20-7-3-4-8-21(20)17-23)25(28)26-18-19-9-12-22(13-10-19)27-15-5-6-16-27/h3-4,7-14,17,24H,2,5-6,15-16,18H2,1H3,(H,26,28)/t24-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide?
(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide has a molecular weight of 388.51 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 99951850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).