(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

C26H30N2O2 — CID 94015221

IUPAC(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C26H30N2O2/c1-2-24(30-25-11-7-9-22-8-3-4-10-23(22)25)26(29)27-18-20-12-14-21(15-13-20)19-28-16-5-6-17-28/h3-4,7-15,24H,2,5-6,16-19H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeySKFRKWHHZHPBLR-XMMPIXPASA-N
MW402.54 g/mol
LogP4.91
Rot. Bonds8

About (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 94015221) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID94015221
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C26H30N2O2/c1-2-24(30-25-11-7-9-22-8-3-4-10-23(22)25)26(29)27-18-20-12-14-21(15-13-20)19-28-16-5-6-17-28/h3-4,7-15,24H,2,5-6,16-19H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeySKFRKWHHZHPBLR-XMMPIXPASA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133166238
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212
2-(2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 46767921
(2S)-2-(2-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015253
(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015546
(2S)-2-(2-fluorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015582
(2R)-2-(2,3-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015566
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
(2S)-2-(4-methoxyphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015127

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide (CID 94015221) is (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is SKFRKWHHZHPBLR-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30N2O2/c1-2-24(30-25-11-7-9-22-8-3-4-10-23(22)25)26(29)27-18-20-12-14-21(15-13-20)19-28-16-5-6-17-28/h3-4,7-15,24H,2,5-6,16-19H2,1H3,(H,27,29)/t24-/m1/s1.
What are the key properties of (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 402.54 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 94015221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).