N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide

C31H33NO4 — CID 132936965

IUPACN,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide
SMILESCCC(O)C(OCc1ccc2ccccc2c1)C(O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H33NO4/c1-2-28(33)30(36-22-25-17-18-26-15-9-10-16-27(26)19-25)29(34)31(35)32(20-23-11-5-3-6-12-23)21-24-13-7-4-8-14-24/h3-19,28-30,33-34H,2,20-22H2,1H3
InChIKeyBOBFCNBSMUZFHA-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.09
Rot. Bonds11

About N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide

N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide (PubChem CID 132936965) has the molecular formula C31H33NO4 and a molecular weight of 483.61 g/mol. Its IUPAC name is N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide.

Molecular Properties

Compound NameN,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide
PubChem CID132936965
Molecular FormulaC31H33NO4
Molecular Weight483.61 g/mol
Exact Mass483.24
IUPAC NameN,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide
SMILESCCC(O)C(OCc1ccc2ccccc2c1)C(O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H33NO4/c1-2-28(33)30(36-22-25-17-18-26-15-9-10-16-27(26)19-25)29(34)31(35)32(20-23-11-5-3-6-12-23)21-24-13-7-4-8-14-24/h3-19,28-30,33-34H,2,20-22H2,1H3
InChIKeyBOBFCNBSMUZFHA-UHFFFAOYSA-N
XLogP5.09
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
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N-benzyl-N-butyl-2-(naphthalen-2-ylmethyl)-3-sulfanylpropanamide
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N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-O-ethyl 3-O-(naphthalen-2-ylmethyl) 2-ethylpropanedioate
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N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133202268
(3R)-3-amino-N,N-dibenzyl-2-hydroxy-3-phenylpropanamide
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naphthalen-2-ylmethyl propanoate;hydrochloride
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2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide?
The IUPAC name of N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide (CID 132936965) is N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide.
What is the SMILES notation for N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide?
The canonical SMILES for N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide is CCC(O)C(OCc1ccc2ccccc2c1)C(O)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide?
The InChIKey is BOBFCNBSMUZFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO4/c1-2-28(33)30(36-22-25-17-18-26-15-9-10-16-27(26)19-25)29(34)31(35)32(20-23-11-5-3-6-12-23)21-24-13-7-4-8-14-24/h3-19,28-30,33-34H,2,20-22H2,1H3.
What are the key properties of N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide?
N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide has a molecular weight of 483.61 g/mol, XLogP of 5.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide is sourced from PubChem (CID 132936965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).