3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C22H25NO2 — CID 2225872

IUPAC3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESC=CCOc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C22H25NO2/c1-3-13-25-21-10-6-9-20(15-21)22(24)23-16(2)18-12-11-17-7-4-5-8-19(17)14-18/h3,6,9-12,14-16H,1,4-5,7-8,13H2,2H3,(H,23,24)/t16-/m0/s1
InChIKeyJGHWUEHQCPRKGT-INIZCTEOSA-N
MW335.45 g/mol
LogP4.62
Rot. Bonds6

About 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 2225872) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
PubChem CID2225872
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESC=CCOc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C22H25NO2/c1-3-13-25-21-10-6-9-20(15-21)22(24)23-16(2)18-12-11-17-7-4-5-8-19(17)14-18/h3,6,9-12,14-16H,1,4-5,7-8,13H2,2H3,(H,23,24)/t16-/m0/s1
InChIKeyJGHWUEHQCPRKGT-INIZCTEOSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188150
4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886527
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 25371184
4-ethoxy-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190984
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 26419597
[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8943675
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The IUPAC name of 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 2225872) is 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The canonical SMILES for 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is C=CCOc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The InChIKey is JGHWUEHQCPRKGT-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-13-25-21-10-6-9-20(15-21)22(24)23-16(2)18-12-11-17-7-4-5-8-19(17)14-18/h3,6,9-12,14-16H,1,4-5,7-8,13H2,2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 335.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 2225872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).