N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C28H31NO2 — CID 133202268

IUPACN,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31NO2/c1-2-27(31-26-18-17-24-15-9-10-16-25(24)19-26)28(30)29(20-22-11-5-3-6-12-22)21-23-13-7-4-8-14-23/h3-8,11-14,17-19,27H,2,9-10,15-16,20-21H2,1H3
InChIKeyAZQNTEBJLAUZBH-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.95
Rot. Bonds8

About N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133202268) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133202268
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC NameN,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31NO2/c1-2-27(31-26-18-17-24-15-9-10-16-25(24)19-26)28(30)29(20-22-11-5-3-6-12-22)21-23-13-7-4-8-14-23/h3-8,11-14,17-19,27H,2,9-10,15-16,20-21H2,1H3
InChIKeyAZQNTEBJLAUZBH-UHFFFAOYSA-N
XLogP5.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796
(2R)-N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100745817
N,N-dibenzyl-2-(2-methylphenoxy)butanamide
CID 43916295
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
(2S)-N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100733604
(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873
(2S)-N-[3-(3-propan-2-yloxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100530658
N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200251
(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide
CID 28575103

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133202268) is N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is AZQNTEBJLAUZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c1-2-27(31-26-18-17-24-15-9-10-16-25(24)19-26)28(30)29(20-22-11-5-3-6-12-22)21-23-13-7-4-8-14-23/h3-8,11-14,17-19,27H,2,9-10,15-16,20-21H2,1H3.
What are the key properties of N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 413.56 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133202268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).