N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide

C24H28N2O3 — CID 133201842

IUPACN-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C(CC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C24H28N2O3/c1-3-15-25-23(27)20-11-7-8-12-21(20)26-24(28)22(4-2)29-19-14-13-17-9-5-6-10-18(17)16-19/h3,7-8,11-14,16,22H,1,4-6,9-10,15H2,2H3,(H,25,27)(H,26,28)
InChIKeyQUXHRKMBVZQGOW-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.28
Rot. Bonds8

About N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide

N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide (PubChem CID 133201842) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide
PubChem CID133201842
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C(CC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C24H28N2O3/c1-3-15-25-23(27)20-11-7-8-12-21(20)26-24(28)22(4-2)29-19-14-13-17-9-5-6-10-18(17)16-19/h3,7-8,11-14,16,22H,1,4-6,9-10,15H2,2H3,(H,25,27)(H,26,28)
InChIKeyQUXHRKMBVZQGOW-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide
CID 4928581
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 100561674
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
(2R)-N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100745817
2-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-prop-2-enylbenzamide
CID 94019550
methyl 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzoate
CID 133186921
N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200251
(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate
CID 100518071
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
(2S)-N-(2-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100746467

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide?
The IUPAC name of N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide (CID 133201842) is N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide.
What is the SMILES notation for N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide?
The canonical SMILES for N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide is C=CCNC(=O)c1ccccc1NC(=O)C(CC)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide?
The InChIKey is QUXHRKMBVZQGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-15-25-23(27)20-11-7-8-12-21(20)26-24(28)22(4-2)29-19-14-13-17-9-5-6-10-18(17)16-19/h3,7-8,11-14,16,22H,1,4-6,9-10,15H2,2H3,(H,25,27)(H,26,28).
What are the key properties of N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide?
N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide has a molecular weight of 392.50 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide is sourced from PubChem (CID 133201842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).