N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide

C23H28N2O3 — CID 100577851

IUPACN-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O3/c1-2-3-14-24-23(27)20-10-6-7-11-21(20)25-22(26)16-28-19-13-12-17-8-4-5-9-18(17)15-19/h6-7,10-13,15H,2-5,8-9,14,16H2,1H3,(H,24,27)(H,25,26)
InChIKeyJFBHBWAQGOUYHV-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.11
Rot. Bonds8

About N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide

N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide (PubChem CID 100577851) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide
PubChem CID100577851
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O3/c1-2-3-14-24-23(27)20-10-6-7-11-21(20)25-22(26)16-28-19-13-12-17-8-4-5-9-18(17)15-19/h6-7,10-13,15H,2-5,8-9,14,16H2,1H3,(H,24,27)(H,25,26)
InChIKeyJFBHBWAQGOUYHV-UHFFFAOYSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4946012
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4945928
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 4945967
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112978188
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
N-[3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899662
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-2-methylbenzohydrazide
CID 9220922
2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide?
The IUPAC name of N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide (CID 100577851) is N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2.
What is the InChIKey of N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide?
The InChIKey is JFBHBWAQGOUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-3-14-24-23(27)20-10-6-7-11-21(20)25-22(26)16-28-19-13-12-17-8-4-5-9-18(17)15-19/h6-7,10-13,15H,2-5,8-9,14,16H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide?
N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide is sourced from PubChem (CID 100577851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).