(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide

C25H26N2O3 — CID 28633197

IUPAC(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C25H26N2O3/c1-2-23(30-20-14-13-18-9-3-4-10-19(18)17-20)24(28)26-22-12-6-5-11-21(22)25(29)27-15-7-8-16-27/h3-6,9-14,17,23H,2,7-8,15-16H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyWRLNWZFADHODRU-QHCPKHFHSA-N
MW402.49 g/mol
LogP4.87
Rot. Bonds6

About (2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide

(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide (PubChem CID 28633197) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
PubChem CID28633197
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C25H26N2O3/c1-2-23(30-20-14-13-18-9-3-4-10-19(18)17-20)24(28)26-22-12-6-5-11-21(22)25(29)27-15-7-8-16-27/h3-6,9-14,17,23H,2,7-8,15-16H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyWRLNWZFADHODRU-QHCPKHFHSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633196
2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 46764443
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
CID 28632970
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905
(2R)-2-naphthalen-1-yloxy-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 92682982
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
(2R)-2-(4-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 26074932
(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 40747464
2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284374
N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073395
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 38004411

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of (2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide (CID 28633197) is (2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The InChIKey is WRLNWZFADHODRU-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-23(30-20-14-13-18-9-3-4-10-19(18)17-20)24(28)26-22-12-6-5-11-21(22)25(29)27-15-7-8-16-27/h3-6,9-14,17,23H,2,7-8,15-16H2,1H3,(H,26,28)/t23-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide?
(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide has a molecular weight of 402.49 g/mol, XLogP of 4.87, 6 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-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 28633197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).